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2022-07-10
Semimetallic spin-density wave state in iron pnictides
We examine the existence of semimetallic spin-density wave states in iron pnictides. In the experimentally observed metallic spin-density wave state, the symmetry-protected Dirac cones are located away from the Fermi surface giving rise to tiny pockets and there are also additional Fermi pockets such as one around $\Gamma$. We find that the location of a pair of Dirac points with respect to the Fermi surface exhibits significant sensitivity to the orbital splitting between the $d_{xz}$ and $d_{yz}$ orbitals. Besides, in the presence of orbital splitting, the Fermi pockets not associated with the Dirac cones, can be suppressed so that a semimetallic spin-density wave state can be realized. We explain these finding in terms of difference in the slopes and orbital contents of the bands which form the Dirac cone, and obtain the necessary conditions dependent on these two and other parameters for the coexisting Dirac semimetallic and spin-density wave states. Additionally, the topologically protected edge states are studied in the ribbon geometry when the same are oriented either along $x$ or $y$ axes.
2207.04365v1
2022-07-22
Orbital and magnetic ordering in single-layer FePS3: A DFT+U study
Among the numerous 2D system that can be prepared via exfoliation, iron phosphorus trisulfide (FePS3) attracts a lot of attention recently due to its broad-range photoresponse, its unusual Ising-type magnetic order and possible applications in spintronic nano-devices. Despite various experimental and theoretical-computational reports, there are still uncertainties in identifying its magnetic ground state. In this paper, we investigate the structural and magnetic properties of single-layer FePS3 by using Density Functional Theory. Our findings show that orbital ordering leads to a variation in distance between pairs of iron atoms by 0.14 Angstrom. These lattice distortions, albeit small, trigger different (ferromagnetic and antiferromagnetic) exchange couplings so that the ground state consists of ferromagnetically aligned zigzag chains along the long Fe-Fe bonds which couple antiferromagnetically along the shorter Fe-Fe bonds. Within the DFT+U framework, we parameterize a spin Hamiltonian including Heisenberg, single-ion anisotropy, Dzyaloshinskii-Moriya and biquadratic interactions. Using U=2.22eV gives a consistent description of both the electronic band gap and the Neel temperature in 2D FePS3.
2207.11283v2
2022-07-25
Anomalous Shiba states in topological iron-based superconductors
We demonstrate the formation of robust zero energy modes close to magnetic impurities in the iron-based superconductor FeSe$_{1-x}$Te$_x$. We find that the Zeeman field generated by the impurity favors a spin-triplet inter-orbital pairing as opposed to the spin-singlet intra-orbital pairing prevalent in the bulk. The preferred spin-triplet pairing preserves time-reversal symmetry and is topological, as robust, topologically-protected zero modes emerge at the boundary between regions with different pairing states. Moreover, the zero modes form Kramers doublets that are insensitive to the direction of the spin polarization or to the separation between impurities. We argue that our theoretical results are consistent with recent experimental measurements on FeSe$_{1-x}$Te$_x$.
2207.12425v2
2022-08-16
Core-shell enhanced single particle model for lithium iron phosphate batteries: model formulation and analysis of numerical solutions
In this paper, a core-shell enhanced single particle model for iron-phosphate battery cells is formulated, implemented, and verified. Starting from the description of the positive and negative electrodes charge and mass transport dynamics, the positive electrode intercalation and deintercalation phenomena and associated phase transitions are described with the core-shell modeling paradigm. Assuming two phases are formed in the positive electrode, one rich and one poor in lithium, a core-shrinking problem is formulated and the phase transition is modeled through a shell phase that covers the core one. A careful discretization of the coupled partial differential equations is proposed and used to convert the model into a system of ordinary differential equations. To ensure robust and accurate numerical solutions of the governing equations, a sensitivity analysis of numerical solutions is performed and the best setting, in terms of solver tolerances, solid phase concentration discretization points, and input current sampling time, is determined in a newly developed probabilistic framework. Finally, unknown model parameters are identified at different C-rate scenarios and the model is verified against experimental data.
2208.07485v1
2022-08-26
Pure nematic state in iron-based superconductor
Lattice and electronic states of thin FeSe films on LaAlO$_3$ substrates are investigated in the vicinity of the nematic phase transition. No evidence of structural phase transition is found by x-ray diffraction below $T^\ast \sim 90$ K, while results obtained from resistivity measurement and angle-resolved photoemission spectroscopy clearly show the appearance of a nematic state. These results indicate formation of a pure nematic state in the iron-based superconductor and provide conclusive evidence that the nematic state originates from the electronic degrees of freedom. This pure nematicity in the thin film implies difference in the electron-lattice interaction from bulk FeSe crystals. FeSe films provide valuable playgrounds for observing the pure response of "bare" electron systems free from the electron-lattice interaction, and should make important contribution to investigate nematicity and its relationship with superconductivity.
2208.12384v4
2022-08-27
Magnetic bond-order potential for iron-cobalt alloys
For large-scale atomistic simulations of magnetic materials, the interplay of atomic and magnetic degrees of freedom needs to be described with high computational efficiency. Here we present an analytic bond-order potential (BOP) for iron-cobalt, an interatomic potential based on a coarse-grained description of the electronic structure. We fitted BOP parameters to magnetic and non-magnetic density-functional theory (DFT) calculations of Fe, Co, and Fe-Co bulk phases. Our BOP captures the electronic structure of magnetic and non-magnetic Fe-Co phases. It provides accurate predictions of structural stability, elastic constants, phonons, point and planar defects, and structural transformations. It also reproduces the DFT-predicted sequence of stable ordered phases peculiar to Fe-Co and the stabilization of B2 against disordered phases by magnetism. Our Fe-Co BOP is suitable for atomistic simulations with thousands and millions of atoms.
2208.12973v2
2022-08-31
The giants that were born swiftly -- Implications of the top-heavy stellar initial mass function on the birth conditions of globular clusters
Recent results suggest that the initial mass function (IMF) of globular clusters (GCs) is metallicity and density dependent. Here it is studied how this variation affects the initial masses and the numbers of core collapse supernovae (CCSNe) required to reproduce the observed iron spreads in GCs. The IMFs of all of the investigated GCs were top-heavy implying larger initial masses compared to previous results computed assuming an invariant canonical IMF. This leads to more CCSNe being required to explain the observed iron abundance spreads. The results imply that the more massive GCs formed at smaller Galactocentric radii, possibly suggesting in-situ formation of the population II halo. The time until star formation (SF) ended within a proto-GC is computed to be 3.5 - 4 Myr, being slightly shorter than the 4 Myr obtained using the canonical IMF. Therefore, the impact of the IMF on the time for which SF lasts is small.
2209.00045v1
2022-09-05
Increased muon field at surface and substrate interface of palladium thin films
We performed depth-dependent low-energy muon spin spectroscopy ($\mu$SR) studies on three palladium 100 nm thin films, both undoped and doped with 170 ppm of iron. Muons implanted in the surface and substrate interface region probe an increased local magnetic field compared to the inner part of the sample. The field increase extends over a few nanometers, it is temperature-independent (in the range of 3.7 - 100 K), stronger for the iron-doped samples and accompanied by an increase in local field inhomogeneity. We consider various potential origins for this magnetic surface state, such as adsorbents and supressed d-states. Our conclusion is that orbital moments induced at the surface / interface by localized spins and charges are the most likely explanation, potentially accompanied by magnetic moments due to crystal irregularities.
2209.02002v1
2022-09-17
Onset Temperatures for Superconducting Fluctuations in Te-annealed FeTe$_{1-x}$Se$_x$ Single Crystals: Evidence for the BCS-BEC Crossover
Recently, the superconductors' community has witnessed an unsettled debate regarding whether iron-based superconductors, in particular FeSe and FeSe$_{1-x}$S$_x$, are in the Bardeen-Cooper-Shrieffer (BCS) - Bose-Einstein condensation (BEC) crossover regime. Nonetheless, one particular system, FeTe$_{1-x}$Se$_x$, has been less investigated in this regard owing to the screening of its intrinsic superconducting properties by the inevitable iron excess. Herein, the onset temperatures for superconducting fluctuations ($T_{scf}$) are investigated by measuring the magnetoresistance (MR) of Te-annealed, high-quality FeTe$_{1-x}$Se$_x$ ($x$ = 0.1, 0.2, 0.3, and 0.4) single crystals. The results reveal very high $T_{scf}$ values for these crystals. Particularly for $x$ = 0.4, $T_{scf}$ reaches approximately 40 K, which is 2.7 times larger than $T_c$. This indicates that the superconductivity of the FeTe$_{1-x}$Se$_x$ system is well within the BCS-BEC crossover regime.
2209.08238v1
2022-09-19
Anisotropic gap structure and sign reversal symmetry in monolayer Fe(Se,Te)
The iron-based superconductors are an ideal platform to reveal the enigma of the unconventional superconductivity and potential topological superconductivity. Among them, the monolayer Fe(Se,Te)/SrTiO3(001), which is proposed to be topological nontrivial, shows interface-enhanced high-temperature superconductivity in the two dimensional limit. However, the experimental studies on the superconducting pairing mechanism of monolayer Fe(Se,Te) films are still limited. Here, by measuring quasiparticle interference in monolayer Fe(Se,Te)/SrTiO3(001), we report the observation of the anisotropic structure of the large superconducting gap and the sign change of the superconducting gap on different electron pockets. The results are well consistent with the 'bonding-antibonding' s+- wave pairing symmetry driven by spin fluctuations in conjunction with spin-orbit coupling. Our work is of basic significance not only for a unified superconducting formalism in the iron-based superconductors, but also for understanding of topological superconductivity in high-temperature superconductors.
2209.08683v2
2022-10-03
Energetics, electronic states, and magnetism of iron phthalocyanine on pristine and defected graphene layers
Transition metal phthalocyanines (TMPc's) are under intense scrutiny in the field of spintronics, as they may be promising storage devices. The simplicity and cheapness of such molecules increase their commercial potential. There is an active study of how the magnetic moment of the metal centre of such molecules can be changed. Here, we particularly consider the iron phthalocyanine molecule (FePc) on a graphene layer as a substrate. We study how graphene defects (the Stone-Wales defect, B-doping, N-doping, S-doping, and combined B (N, S)-doped Stone-Wales defects) change the FePc electronic structure. We present ab initio study of the systems, which is done using several approaches: based on periodic plane wave density functional theory (DFT), a linear combination of atomic orbitals (LCAO) DFT with a cluster representation of graphene, and multiconfigurational methods with the pyrene molecule presented as a miniaturised graphene cluster. The treatment of the FePc/Graphene hybrid system using multiconfigurational methods was done for the first time. It was found that the hybrid systems with B- and N- dopings have quasi-degenerate ground states and it is necessary to go beyond the approximation of one Slater determinant.
2210.01025v1
2022-10-19
Competing ferromagnetic superconducting states in europium-based iron pnictides
In europium-based iron pnictides superconducting Fe-planes can be influenced by a Zeeman field originated from the neighboring Eu-planes. The field tends to induce spin-density waves with a ferromagnetic average which coexists with the superconducting order by forming complementary patterns of the superconducting and magnetic order parameters in a Fulde-Ferrell-Larkin-Ovchinnikov phase and a two-dimensional textured-superconducting phase. The hard gap around the Fermi energy disappears in these fragile inhomogeneous superconducting states, which features, instead, V-shaped spin-resolved local density of states. The inhomogeneous states are also competing with either a homogeneous superconducting or a homogeneous ferromagnetic state, manifesting the intertwining influences of the magnetic orders in Fe and Eu planes, the spin-density wave band structure, and the superconducting pairing order.
2210.10312v1
2022-11-14
Rapid Formation of Exoplanetesimals Revealed by White Dwarfs
The timing of formation for the first planetesimals determines the mode of planetary accretion and their geophysical and compositional evolution. Astronomical observations of circumstellar discs and Solar System geochronology provide evidence for planetesimal formation during molecular cloud collapse, much earlier than previously estimated. Here, we present distinct observational evidence from white dwarf planetary systems for planetesimal formation occurring during the first few hundred thousand years after cloud collapse in exoplanetary systems. A significant fraction of white dwarfs have accreted planetary material rich in iron core or mantle material. In order for the exo-asteroids accreted by white dwarfs to form iron cores, substantial heating is required. By simulating planetesimal evolution and collisional evolution we show that the most likely heat source is short-lived radioactive nuclides such as Al-2 (half life of approximately 0.7 Myr). Core-rich materials in the atmospheres of white dwarfs, therefore, provide independent evidence for rapid planetesimal formation, concurrent with star formation.
2211.07244v1
2022-12-06
Transient gap generation in BaFe$_2$As$_2$ driven by coherent lattice vibrations
The electronic structure and the magnetic properties of iron-based superconductors are highly sensitive to the pnictogen height. Coherent excitation of the $A_{1g}$ phonon by femtosecond laser directly modulates the pnictogen height, which has been used to control the physical properties of iron-based superconductors. Previous studies show that the driven $A_{1g}$ phonon resulted in a transient increase of the pnictogen height in BaFe$_2$As$_2$, favoring an enhanced Fe magnetic moment. Here, we use time-resolved broadband terahertz spectroscopy to investigate the dynamics of BaFe$_2$As$_2$ in the $A_{1g}$ phonon driven state. Below the spin-density wave (SDW) transition temperature, we observe a transient gap generation at early time delays. A similar transient feature is observed in the normal state up to room temperature.
2212.03337v1
2022-12-28
ISAI: Investigating Solar Axion by Iron-57
The existence of the axion is a unique solution for the strong CP problem, and the axion is one of the most promising candidates of the dark matter. Investigating Solar Axion by Iron-57 (ISAI) is being prepared as a complemented table-top experiment to confirm the solar axion scenario. Probing an X-ray emission from the nuclear transitions associated with the axion-nucleon coupling is a leading approach. ISAI searches for the monochromatic 14.4 keV X-ray from the first excited state of 57Fe using a state-of-the-art pixelized silicon detector, dubbed XRPIX, under an extremely low-background environment. We highlight scientific objectives, experimental design and the latest status of ISAI.
2212.13708v1
2023-02-27
Predicting elastic and plastic properties of small iron polycrystals by machine learning
Deformation of crystalline materials is an interesting example of complex system behaviour. Small samples typically exhibit a stochastic-like, irregular response to externally applied stresses, manifested as significant sample-to-sample variation in their mechanical properties. In this work we study the predictability of the sample-dependent shear moduli and yield stresses of a large set of small cube-shaped iron polycrystals generated by Voronoi tesselation, by combining molecular dynamics simulations and machine learning. Training a convolutional neural network to infer the mapping between the initial polycrystalline structure of the samples and features of the ensuing stress-strain curves reveals that the shear modulus can be predicted better than the yield stress. We discuss our results in the context of the sensitivity of the system's response to small perturbations of its initial state.
2302.13745v3
2023-04-13
Aromatic molecules as sustainable lubricants explored by ab initio simulations
In the pursuit of sustainable lubricant materials, the conversion of common organic molecules into graphitic material has been recently shown to effectively reduce friction of metallic interfaces. Aromatic molecules are perfect candidates due to their inertness and possibility to form carbon-based tribofilms. Among many promising possibilities, we selected a group of common aromatic compounds and we investigated their capability to reduce the adhesion of iron interface. Ab initio molecular dynamic simulations of the sliding interface show that hypericin, a component of St. John's wort, effectively separates the mating iron surfaces better than graphene. This phenomenon is due to the size of the molecule, the reactivity of the moieties at its edges and the possibility to stack several of these structures that can easily slide on top of each other. The decomposition of the lateral groups of hypericin observed in the dynamic simulations suggests that the clustering of several molecules is possible, offering innovative paths to lubricate sliding contacts with compounds not typically employed in tribology.
2304.06501v2
2023-04-17
Ultrafast Relaxation Dynamics of Spin-Density Wave Order in BaFe$_2$As$_2$ under High Pressures
BaFe$_2$As$_2$ is the parent compound for a family of iron-based high-temperature superconductors as well as a prototypical example of the spin-density wave (SDW) system. In this study, we perform an optical pump-probe study of this compound to systematically investigate the SDW order across the pressure-temperature phase diagram. The suppression of the SDW order by pressure manifests itself by the increase of relaxation time together with the decrease of the pump-probe signal and the pump energy necessary for complete vaporization of the SDW condensate. We have found that the pressure-driven suppression of the SDW order at low temperature occurs gradually in contrast to the thermally-induced SDW transition. Our results suggest that the pressure-driven quantum phase transition in BaFe$_2$As$_2$ (and probably other iron pnictides) is continuous and it is caused by the gradual worsening of the Fermi-surface nesting conditions.
2304.08080v1
2023-04-18
Electron correlation effects in paramagnetic cobalt
We study the influence of Coulomb correlations on spectral and magnetic properties of fcc cobalt using a combination of density functional theory and dynamical mean-field theory. The computed uniform and local magnetic susceptibilities obey the Curie-Weiss law, which, as we demonstrate, occurs due to the partial formation of local magnetic moments. We find that the lifetime of these moments in cobalt is significantly less than in bcc iron, suggesting a more itinerant magnetism in cobalt. In contrast to the bcc iron, the obtained electronic self-energies exhibit a quasiparticle shape with the quasiparticle mass enhancement factor ${m^*/m}\sim$1.8, corresponding to moderately correlated metal. Finally, our calculations reveal that the static magnetic susceptibility of cobalt is dominated by ferromagnetic correlations, as evidenced by its momentum dependence.
2304.08980v1
2023-04-27
Influence of oxygen on electronic correlation and transport in iron in the outer Earth's core
Knowing the transport properties of iron under realistic conditions present in the Earth's core is essential for the geophysical modeling of Earth's magnetic field generation. Besides by extreme pressures and temperatures, transport may be influenced importantly also by the presence of light elements. Using a combination of molecular dynamics, density functional theory, and dynamical mean-field theory methods we investigate how oxygen impurities influence the electronic correlations and transport in the liquid outer Earth's core. We consider a case with an oxygen content of ~10 atomic%, a value that is believed to be close to the composition of the core. We find that the electronic correlations are enhanced but their effect on conductivities is moderate (compared to pure Fe, electrical conductivity drops by 10% and thermal conductivity by 18%). The effect of electron-electron scattering alone, whereas not large, is comparable to effects of the compositional disorder. We reveal the mechanism behind the larger suppression of the thermal conductivity and associated reduction of the Lorenz ratio and discuss its geophysical significance.
2304.13962v1
2023-05-08
Uniaxial-Strain Tuning of the Intertwined Orders in BaFe$_2$(As$_{1-x}$P$_{x}$)$_2$
An experimental determination of electronic phase diagrams of high-transition temperature (high-$T_c$) superconductors forms the basis for a microscopic understanding of unconventional superconductivity. For most high-$T_c$ superconductors, the electronic phase diagrams are established through partial chemical substitution, which also induces lattice disorder. Here we show that symmetry-specific uniaxial strain can be used to study electronic phases in iron-based superconductors, composed of two-dimensional nearly square iron lattice planed separated by other elements. By applying tunable uniaxial strain along different high symmetry directions and carrying out transport measurements, we establish strain-tuning dependent electronic nematicity, antiferromagnetic (AF) order, and superconductivity of BaFe$_2$(As$_{1-x}$P$_{x}$)$_2$ superconductor. We find that uniaxial strain along the nearest Fe-Fe direction can dramatically tune the AF order and superconductivity, producing an electronic phase diagram clearly different from the chemical substitution-induced one. Our results thus establish strain tuning as a way to study the intertwined orders in correlated electron materials without using chemical substitution.
2305.04424v1
2023-06-19
Kinetics of hydrogen and vacancy diffusion in iron: A Kinetic Activation Relaxation technique (k-ART) study
We investigate hydrogen (H) and mono and divacancy-hydrogen complexes (VH$_x$ and V$_2$H$_x$) diffusion in body-centered-cubic (BCC) iron using the kinetic Activation-Relaxation Technique (k-ART), an off-lattice kinetic Monte Carlo approach with on-the-fly event catalog building, to explore diffusion barriers and associated mechanisms for these defects. K-ART uncovers complex diffusion pathways for the bound complexes, with important barrier variations that depend on the geometrical relations between the position of the inserting Fe atom and that of the bound H. Since H is small and brings little lattice deformation around itself, these bound complexes are compact and H is fully unbound at the second neighbour site already. As more H are added, however, vacancies deform and affect the lattice over longer distances, contributing to increasing the VH$_x$ complex diffusion barrier and its impact on its local environment. We find, moreover, that the importance of this trapping decreases when going from mono to divacancy complexes, although diffusion barriers for these complexes increase with the number of trapped H.
2306.11176v1
2023-06-30
Orbital-selective correlations for topology in FeSe$_{x}$Te$_{1-x}$
Strong correlations lead to emergent excitations at low energies. When combined with symmetry constraints, they may produce topological electronic states near the Fermi energy. Within this general framework, here we address the topological features in iron-based superconductors. We examine the effects of orbital-selective correlations on the band inversion in the iron chalcogenide FeSe$_{x}$Te$_{1-x}$ near its doping of optimal superconductivity, within a multiorbital model and using a $U(1)$ slave spin theory. The orbital selectivity of the quasiparticle spectral weight, along with its counterpart of the energy level renormalization, leads to a band inversion and Dirac node formation pinned to the immediate vicinity of the Fermi energy. Our work demonstrates both the naturalness and robustness of the topological properties in FeSe$_{x}$Te$_{1-x}$, and uncovers a new setting in which strong correlations and space-group symmetry cooperate in generating strongly correlated electronic topology.
2306.17739v1
2023-07-02
Thermochemical Stability of Low-Iron, Manganese-Enriched Olivine in Astrophysical Environments
Low-iron, manganese-enriched (LIME) olivine grains are found in cometary samples returned by the Stardust mission to comet 81P/Wild 2. Similar grains are found in primitive meteoritic clasts and unequilibrated meteorite matrix. LIME olivine is thermodynamically stable in a vapor of solar composition at high temperature at total pressures of a millibar to a microbar, but enrichment of solar composition vapor in a dust of chondritic composition causes the FeO/MnO ratio of olivine to increase. The compositions of LIME olivines in primitive materials indicate oxygen fugacities close to that of a very reducing vapor of solar composition. The compositional zoning of LIME olivines in amoeboid olivine aggregates is consistent with equilibration with nebular vapor in the stability field of olivine, without reequilibration at lower temperatures. A similar history is likely for LIME olivines found in comet samples and in interplanetary dust particles. LIME olivine is not likely to persist in nebular conditions in which silicate liquids are stable.
2307.00652v1
2023-08-10
Absence of superconductivity in electron-doped chromium pnictides ThCrAsN$_{1-x}$O$_x$
Theoretical studies predicted possible superconductivity in electron-doped chromium pnictides isostructural to their iron counterparts. Here, we report the synthesis and characterization of a new ZrCuSiAs-type Cr-based compound ThCrAsN, as well as its oxygen-doped variants. All samples of ThCrAsN$_{1-x}$O$_x$ show metallic conduction, but no superconductivity is observed above 30 mK even though the oxygen substitution reaches 75\%. The magnetic structure of ThCrAsN is determined to be G-type antiferromagnetic by magnetization measurements and first-principles calculations jointly. The calculations also indicate that the in-plane Cr--Cr direct interaction of ThCrAsN is robust against the heavy electron doping. The calculated density of states of the orbital occupations of Cr for ThCrAs(N,O) is strongly spin-polarized. Our results suggest the similarities between chromium pnictides and iron-based superconductors shouldn't be overestimated.
2308.05267v1
2023-08-16
Phase separation and phase transitions in undoped and Rh3+ doped iron pnictide CaFe2As2: a Raman scattering study
Iron-pnictides Ca(Fe1-xRhx)2As2 (x = 0, 0.035, and 0.19) were studied across the tetragonal-orthorhombic and uncollapsed to collapsed tetragonal phase transitions using Raman spectroscopy. The effect of the phase separation was observed in the high-temperature phase for the first time. Two phases with the low-spin and high-spin states of the Fe2+ ions coexist in the undoped (x = 0) and doped (x = 0.035) samples at ambient conditions. These two phases are present on a larger length scale and they are not limited to the local distortions. Both phases in the undoped sample successfully undergo tetra-to-ortho phase transitions approximately at the same temperature T0 = 160 K. In doped samples, a cascade of phase transitions is observed at temperatures T* = 100 K and Tc = 72 K with cooling for the first time. A complex type of the re-entrant magnetic structure is realized in the x = 0.035 sample at temperatures below Tc, which is distinct from the usual orthorhombic twofold one. The overdoped sample (x = 0.19) also shows phase separation at temperatures 7 - 295 K in Raman spectra similar to these of the remnant phase.
2308.08633v1
2023-08-23
Oxygen-Terminated (1x1) Reconstruction of Reduced Magnetite Fe$_3$O$_4$(111)
The (111) facet of magnetite (Fe$_3$O$_4$) has been studied extensively by experimental and theoretical methods, but controversy remains regarding the structure of its low-energy surface terminations. Using density functional theory (DFT) computations, we demonstrate three reconstructions that are more favorable than the accepted Fe$_{\rm oct2}$ termination in reducing conditions. All three structures change the coordination of iron in the kagome Fe$_{\rm oct1}$ layer to tetrahedral. With atomically-resolved microscopy techniques, we show that the termination that coexists with the Fe$_{\rm tet1}$ termination consists of tetrahedral iron capped by three-fold coordinated oxygen atoms. This structure explains the inert nature of the reduced patches.
2308.12023v1
2023-08-25
Causally Sound Priors for Binary Experiments
We introduce the BREASE framework for the Bayesian analysis of randomized controlled trials with a binary treatment and a binary outcome. Approaching the problem from a causal inference perspective, we propose parameterizing the likelihood in terms of the baseline risk, efficacy, and adverse side effects of the treatment, along with a flexible, yet intuitive and tractable jointly independent beta prior distribution on these parameters, which we show to be a generalization of the Dirichlet prior for the joint distribution of potential outcomes. Our approach has a number of desirable characteristics when compared to current mainstream alternatives: (i) it naturally induces prior dependence between expected outcomes in the treatment and control groups; (ii) as the baseline risk, efficacy and risk of adverse side effects are quantities commonly present in the clinicians' vocabulary, the hyperparameters of the prior are directly interpretable, thus facilitating the elicitation of prior knowledge and sensitivity analysis; and (iii) we provide analytical formulae for the marginal likelihood, Bayes factor, and other posterior quantities, as well as exact posterior sampling via simulation, in cases where traditional MCMC fails. Empirical examples demonstrate the utility of our methods for estimation, hypothesis testing, and sensitivity analysis of treatment effects.
2308.13713v2
2023-08-30
Mechanism of cathodic protection of iron and steel in porous media
Cathodic protection (CP) was introduced two centuries ago and since has found widespread application in protecting structures such as pipelines, offshore installations, and bridges from corrosion. Despite its extensive use, the fundamental working mechanism of CP remains debated, particularly for metals in porous media such as soil. Here, we offer resolution to the long-standing debate by employing in-situ and ex-situ characterisation techniques coupled with electrochemical measurements to characterise the spatio-temporal changes occurring at the steel-electrolyte interface. We show that upon CP, the interfacial electrolyte undergoes alkalinisation and deoxygenation, and that depending on polarisation conditions, an iron oxide film can simultaneously form on the steel surface. We further demonstrate that these changes in interfacial electrolyte chemistry and steel surface state result in altered anodic and cathodic reactions and their kinetics. We propose a mechanism of CP that integrates the long debated theories, based on both concentration and activation polarisation, complimentarily. Implications of this coherent scientific understanding for enhancing corrosion protection technologies and the safe, economic, and environmental-friendly operation of critical steel-based infrastructures are discussed.
2308.15953v1
2023-09-08
Interband scattering- and nematicity-induced quantum oscillation frequency in FeSe
Understanding the nematic phase observed in the iron-chalcogenide materials is crucial for describing their superconducting pairing. Experiments on FeSe$_{1-x}$S$_x$ showed that one of the slow Shubnikov--de Haas quantum oscillation frequencies disappears when tuning the material out of the nematic phase via chemical substitution or pressure, which has been interpreted as a Lifshitz transition [Coldea et al., npj Quant Mater 4, 2 (2019), Reiss et al., Nat. Phys. 16, 89-94 (2020)]. Here, we present a generic, alternative scenario for a nematicity-induced sharp quantum oscillation frequency which disappears in the tetragonal phase and is not connected to an underlying Fermi surface pocket. We show that different microscopic interband scattering mechanisms - for example, orbital-selective scattering - in conjunction with nematic order can give rise to this quantum oscillation frequency beyond the standard Onsager relation. We discuss implications for iron-chalcogenides and the interpretation of quantum oscillations in other correlated materials.
2309.04237v1
2023-09-21
Spectral study of neutron star low mass X-ray binary source 1A 1744-361
We present X-ray observations of the recent outburst of 2022 from the neutron star low mass X-ray binary (LMXB) source 1A 1744-361. Spectral properties of the source have been analyzed using joint NuSTAR and NICER observations. During our observations, the source happens to be in the banana state (soft state) of the hardness intensity diagram (HID). In addition to a power-law with a high energy cutoff, the spectrum is found to exhibit broad iron $K_{\alpha}$ emission along with distinct absorption features. A prominent absorption feature observed at 6.92 keV may be interpreted as $K_{\alpha}$ absorption line from hydrogen-like iron. The absorption feature observed at 7.98 keV may be interpreted as a blend of Fe XXV and Ni XXVII transitions. We have summarized the evidence of variability of the spectral features observed in the X-ray continuum by time-resolved spectroscopy.
2309.11817v1
2023-09-21
Interface of Equation-of-State, Atomic Data and Opacities in the Solar Problem
Convergence of the Rosseland Mean Opacity (RMO) is investigated with respect to the equation-of-state (EOS) and the number of atomic levels of iron ions prevalent at the solar radiative/convection boundary. The "chemical picture" Mihalas-Hummer-D\"{a}ppen MHD-EOS, and its variant QMHD-EOS, are studied at two representative temperature-density sets at the base of the convection zone (BCZ) and the Sandia Z experiment: $(2 \times 10^6K, \ 10^{23}/cc)$ and $(2.11 \times 10^6K, \ 3.16 \times 10^{22}/cc)$, respectively. It is found that whereas the new atomic datasets from accurate R-matrix calculations for opacities (RMOP) are vastly overcomplete, involving hundreds to over a thousand levels of each of the three Fe ions considered -- FeXVII, FeXVIII and FeXIX -- the EOS constrains contributions to RMOs by relatively fewer levels. The RMOP iron opacity spectrum is quite different from the Opacity Project distorted wave model and shows considerably more plasma broadening effects. This work points to possible improvements needed in the EOS for opacities in high-energy-density (HED) plasma sources.
2309.12073v1
2023-09-26
Polymer amide as a source of the cosmic 6.2 micron emission and absorption
Cosmic infrared emission and absorption spectra often carry a well-defined and invariant 6.2 micron band that has been proposed to emanate from very small dust grains that may carry polyaromatic hydrocarbons. Hemoglycin, a well-defined polymer of glycine that also contains iron, has been found in meteorites of the primordial CV3 class and therefore originated in the solar protoplanetary disc. In approximate calculations, the principal amide I infrared absorption band of hemoglycin is at 6.04 microns. Hemoglycin, an antiparallel beta sheet structure with two 11-mer glycine chains, has an exact structural analog in antiparallel poly-L-lysine beta sheets which in the laboratory have an absorption peak at 6.21 microns. This wavelength coincidence, the demonstrated propensity of hemoglycin 4.9nm rods to form accreting lattice structures, and its proven existence in the solar protoplanetary disc strongly suggest that the cosmic 6.2 micron emission and absorption could be from small grains that are hemoglycin lattices or shell-like vesicles carrying internal organic molecules of various types. Calculated hemoglycin ultraviolet absorptions associated with iron in the molecule match the observed ultraviolet extinction feature at nominal 2175 Angstroms.
2309.14914v1
2023-10-10
Improved iron-tolerance in recycled aluminum alloys via direct strip casting process
Recycled aluminum alloys are pivotal for sustainable manufacturing, offering strength, durability, and environmental advantages. However, the presence of iron (Fe) impurities poses a major challenge, undermining their properties and recyclability. Conventional manufacturing processes result in coarse Fe-rich intermetallic compounds that limit the tolerance of Fe content and negatively influence performance of advanced aluminum alloys. To address this, rapid solidification techniques like direct strip casting have been explored. In this work, a detailed study of the strip cast microstructure was conducted by scanning electron microscopy, electron backscattered diffraction and atom probe tomography. Our results reveal that alloys produced by DSC exhibit significantly refined microstructures and are free from coarse Fe-rich intermetallics, thereby retaining the majority of Fe in solid solution. These findings indicate that strip casting significantly enhances Fe-tolerance in aluminum alloys, making it an attractive process for future aluminum recycling, with implications for sustainable high-performance applications.
2310.06327v1
2023-10-16
Spectral Properties of GX~339--4 in the Intermediate State Using AstroSat Observation
We present the results obtained from the spectral studies of black hole X-ray binary GX~339--4 using \astrosat~ observations during its 2021 outburst. \astrosat~ observed the source in the intermediate state for $\sim600$ ks. The combined spectra of SXT and LAXPC in the $0.7-25$ keV energy range are studied with phenomenological and physical models. The spectral study reveals a receding disc and a contracting corona during the observation period. The outflow rate is found to be increased though the accretion rates did not vary during the observation period. The X-ray flux decreases as the disc recedes and the spectrum becomes hard. At the same time, the Comptonized flux decreases with increasing fraction of thermal emission. This could be plausible that episodic jet ejection modified the corona and reduced Comptonized flux. An iron emission line at 6.4 keV is observed in the spectra of all the orbits of observation. We find that the equivalent width of the iron emission line correlates with the photon index, indicating a decrease in the reflection strength as the spectrum becomes hard. We observe that the disc flux does not follow $F_{\rm DBB}-T^{4}$ relation.
2310.10444v1
2023-10-16
Quantum hardware calculations of the activation and dissociation of nitrogen on iron clusters and surfaces
Catalytic processes are vital in the chemical industry, with nitrogen-to-ammonia conversion being a major industrial process. Designing catalysts relies on computational chemistry methods like Density Functional Theory (DFT), which have limitations in accuracy, especially for complex materials. Quantum computing advancements offer promise for precise ab-initio methods. We introduce a hybrid quantum-classical workflow to model chemical reactions on surfaces, demonstrated on nitrogen activation and dissociation on small Fe clusters and an iron surface. We decoupled key electronic structures using CASSCF, translated them into qubits, and estimated energies with quantum and classical simulations, showing potential for quantum computing in catalysis research as technology scales up.
2310.10478v1
2023-10-31
The Larmor frequency shift of a white matter magnetic microstructure model with multiple sources
Magnetic susceptibility imaging may provide valuable information about chemical composition and microstructural organization of tissue. However, its estimation from the MRI signal phase is particularly difficult as it is sensitive to magnetic tissue properties ranging from the molecular to macroscopic scale. The MRI Larmor frequency shift measured in white matter (WM) tissue depends on the myelinated axons and other magnetizable sources such as iron-filled ferritin. We have previously derived the Larmor frequency shift arising from a dense media of cylinders with scalar susceptibility and arbitrary orientation dispersion. Here we extend our model to include microscopic WM susceptibility anisotropy as well as spherical inclusions with scalar susceptibility to represent subcellular structures, biologically stored iron etc. We validate our analytical results with computer simulations and investigate the feasibility of estimating susceptibility using simple iterative linear least squares without regularization or preconditioning. This is done in a digital brain phantom synthesized from diffusion MRI (dMRI) measurements of an ex vivo mouse brain at ultra-high field.
2311.00086v3
2023-11-19
Diverse features of dust particles and their aggregates inferred from experimental nanoparticles
Nanometre- to micrometre-sized solid dust particles play a vital role in star and planet formations. Despite of their importance, however, our understanding of physical and chemical properties of dust particles is still provisional. We have conducted a condensation experiment of the vapour generated from a solid starting material having nearly cosmic proportions in elements. A laser flash heating and subsequent cooling has produced a diverse type of nanoparticles simultaneously. Here we introduce four types of nanoparticles as potential dust particles in space: amorphous silicate nanoparticles (type S); core/mantle nanoparticles with iron or hydrogenised-iron core and amorphous silicate mantle (type IS); silicon oxycarbide nanoparticles and hydrogenised silicon oxycarbide nanoparticles (type SiOC); and carbon nanoparticles (type C), all produced in a single heating-cooling event. Type IS and SiOC nanoparticles are new for potential astrophysical dust. The nanoparticles are aggregated to a wide variety of structures, from compact, fluffy, and networked. A simultaneous formation of nanoparticles, which are diverse in chemistry, shape, and structure, prompts a re-evaluation of astrophysical dust particles
2311.11213v1
2023-12-14
Confinement of electron holes via the peroxo group formation in the negative charge-transfer materials on the example of SrFeO3: plane-wave density functional theory predictions
The present work puts forward a concept that the thermostable O1s XPS peaks with energy of about 531 eV in negative charge-transfer SrFeO_{3-\delta} perovskite are determined by the peroxo-like oxygen species. The peroxo group forms via coupling two oxygen anions coordinated to iron cations with d^5\bar-under{L} (\bar-under{L}-oxygen electron hole) configuration. By means of plane-wave DFT+U approach there have been shown that the peroxo group represents a metastable state in the absence of oxygen vacancies nearby. The O-O bonding confines two electron holes freezing the 3+ oxidation state for two iron cations bridged by peroxide. Increasing the peroxo group numbers makes the ferrite a semiconductor with charge-transfer gap of about 0.6 eV.
2312.08665v1
2023-12-18
Quantum criticality in quasi-binary compounds of iron-based superconductors
In this work, we present the studies of structural phase transitions in Fe(Se,Te) crystals in the range of about 30% selenium substitution by tellurium. We found a significant change in the properties of the ordered state of these compositions compared to the case of pure FeSe. The resistivity at low temperatures for the studied Fe(Se,Te) is proportional to the square of the temperature while for pure FeSe below the structural transition it depends almost linearly on temperature. The NMR data show a noticeable line broadening below the structural transition and an anomaly in the temperature dependence of the relaxation rate in the tellurium-substituted compounds, which was not observed in the pure FeSe. This reveals in quasi-binary compounds of iron-based superconductors a region of quantum criticality similar to that which exists when the nematicity of FeSe is suppressed under pressure and which precedes the emergence of high-temperature superconductivity in FeSe under hydrostatic pressure.
2312.10901v1
2024-01-05
Comparison of Two Detector Magnetic Systems for the Future Circular Hadron-Hadron Collider
The conceptual design study of a Future Circular hadron-hadron Collider (FCC-hh) to be con-structed at CERN with a center-of-mass energy of the order of 100 TeV requires superconducting magnetic systems with a central magnetic flux density of an order of 4 T for the experimental detectors. The developed concept of the FCC-hh detector involves the use of an iron-free magnetic system consisting of three superconducting solenoids. A superconducting magnet with a minimal steel yoke is proposed as an alternative to the baseline iron-free design. In this study, both magnetic system options for the FCC-hh detector are modeled with the same electrical parameters using Cobham$'$s program TOSCA. All the main characteristics of both designs are compared and discussed.
2401.02835v1
2024-01-08
Harvesting nucleating structures in nanoparticle crystallization: The example of gold, silver and iron
The thermodynamics and kinetics of crystallization of nanoparticles, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and iron nanodroplets using numerical simulations in the form of molecular dynamics combined with path sampling. This modeling strategy is targeted at obtaining representative ensembles of structures located at the transition state of the crystallization process. A structural analysis of the transition state ensembles reveals that both the average size and location of the critical nucleation cluster are influenced by surface and nanoscale size effets. Furthermore, we also show that transition state structures in smaller nanodroplets exhibit a more ordered liquid phase, and differentiating between a well-ordered critical cluster and its surrounding disordered liquid phase becomes less evident. All in all, these findings demonstrate that crystallization mechanisms in nanoparticles go beyond the assumptions of classical nucleation theory.
2401.03969v1
2024-01-16
Influence of temperature, doping, and amorphization on the electronic structure and magnetic damping of iron
Hybrid magnonic quantum systems have drawn increased attention in recent years for coherent quantum information processing, but too large magnetic damping is a persistent concern when metallic magnets are used. Their intrinsic damping is largely determined by electron-magnon scattering induced by spin-orbit interactions. In the low scattering limit, damping is dominated by intra-band electronic transitions, which has been theoretically shown to be proportional to the electronic density of states at the Fermi level. In this work, we focus on body-centered-cubic iron as a paradigmatic ferromagnetic material. We comprehensively study its electronic structure using first-principles density functional theory simulations and account for finite lattice temperature, boron (B) doping, and structure amorphization. Our results indicate that temperature induced atomic disorder and amorphous atomic geometries only have a minor influence. Instead, boron doping noticeably decreases the density of states near the Fermi level with an optimal doping level of 6.25%. In addition, we show that this reduction varies significantly for different atomic geometries and report that the highest reduction correlates with a large magnetization of the material. This may suggest materials growth under external magnetic fields as a route to explore in experiment.
2401.08076v1
2024-01-23
Understanding atom probe's analytical performance for iron oxides using correlation histograms and ab initio calculations
Field evaporation from ionic or covalently bonded materials often leads to the emission of molecular ions. The metastability of these molecular ions, particularly under the influence of the intense electrostatic field (1010 Vm-1), makes them prone to dissociation with or without an exchange of energy amongst them. These processes can affect the analytical performance of atom probe tomography (APT). For instance, neutral species formed through dissociation may not be detected at all or with a time of flight no longer related to their mass, causing their loss from the analysis. Here, we evaluated the changes in the measured composition of FeO, Fe2O3 and Fe3O4 across a wide range of analysis conditions. Possible dissociation reactions are predicted by density-functional theory (DFT) calculations considering the spin states of the molecules. The energetically favoured reactions are traced on to the multi-hit ion correlation histograms, to confirm their existence within experiments, using an automated Python-based routine. The detected reactions are carefully analysed to reflect upon the influence of these neutrals from dissociation reactions on the performance of APT for analysing iron oxides.
2401.12784v1
2024-01-29
HEQuant: Marrying Homomorphic Encryption and Quantization for Communication-Efficient Private Inference
Secure two-party computation with homomorphic encryption (HE) protects data privacy with a formal security guarantee but suffers from high communication overhead. While previous works, e.g., Cheetah, Iron, etc, have proposed efficient HE-based protocols for different neural network (NN) operations, they still assume high precision, e.g., fixed point 37 bit, for the NN operations and ignore NNs' native robustness against quantization error. In this paper, we propose HEQuant, which features low-precision-quantization-aware optimization for the HE-based protocols. We observe the benefit of a naive combination of quantization and HE quickly saturates as bit precision goes down. Hence, to further improve communication efficiency, we propose a series of optimizations, including an intra-coefficient packing algorithm and a quantization-aware tiling algorithm, to simultaneously reduce the number and precision of the transferred data. Compared with prior-art HE-based protocols, e.g., CrypTFlow2, Cheetah, Iron, etc, HEQuant achieves $3.5\sim 23.4\times$ communication reduction and $3.0\sim 9.3\times$ latency reduction. Meanwhile, when compared with prior-art network optimization frameworks, e.g., SENet, SNL, etc, HEQuant also achieves $3.1\sim 3.6\times$ communication reduction.
2401.15970v2
2024-01-30
A New Database of Giant Impacts over a Wide Range of Masses and with Material Strength: A First Analysis of Outcomes
In the late stage of terrestrial planet formation, planets are predicted to undergo pairwise collisions known as giant impacts. Here we present a high-resolution database of giant impacts for differentiated colliding bodies of iron-silicate composition, with target masses ranging from 10^-4 M_Earth up to super-Earths (5 M_Earth). We vary impactor-to-target mass ratio, core-mantle (iron-silicate) fraction, impact velocity, and impact angle. Strength in the form of friction is included in all simulations. We find that due to strength, collisions with bodies smaller than about 2*10^-3 M_Earth can result in irregular shapes, compound core structures, and captured binaries. We observe that the characteristic escaping velocity of smaller remnants (debris) is approximately half of the impact velocity, significantly faster than currently assumed in N-body simulations of planet formation. Incorporating these results in N-body planet formation studies would provide more realistic debris-debris and debris-planet interactions.
2401.17356v1
2024-02-09
Copper phosphate micro-flowers coated with indocyanine green and iron oxide nanoparticles for in vivo localization optoacoustic tomography and magnetic actuation
Efficient drug delivery is a major challenge in modern medicine and pharmaceutical research. Micrometer-scale robots have recently been proposed as a promising venue to amplify precision of drug administration. Remotely controlled microrobots sufficiently small to navigate through microvascular networks can reach any part of the human body, yet real-time tracking is crucial for providing precise guidance and verifying successful arrival at the target. In vivo deep-tissue monitoring of individual microrobots is currently hampered by the lack of sensitivity and/or spatio-temporal resolution of commonly used clinical imaging modalities. We synthesized biocompatible and biodegradable copper phosphate micro-flowers loaded with indocyanine green and iron oxide nanoparticles to enable in vivo individual detection with localization optoacoustic tomography. We demonstrate magnetic actuation and optoacoustic tracking of these decorated micro-flowers at a per-particle level. Functional super-resolution imaging achieved via tracking intravenously injected particles provides a means of identifying microvascular targets and quantifying blood flow, while the versatile carrying capacity can be further exploited for transporting multiple types of drug formulations.
2402.06749v1
2024-03-24
Rigorous ESR spectroscopy of $Fe^{3+}$ impurity ion with oxygen vacancy in ferroelectric $SrTiO_3$ crystal at 20 mK
Impurity $Fe^{3+}$ ion electron spin resonance (ESR) spectroscopy using multiple dielectric modes in a $SrTiO_3$ dielectric resonator has been performed with a tuneable DC magnetic field of up to $1.6~T$. The $Ti^{4+}(d^0)$ ion is substituted by $Fe^{3+}$ ion forming $FeO_6$ octahedral complex with an iron-oxygen-vacancy $(Fe^{3+}-V_O)$. In such a metal-ligand complex, a giant g-factor of $g_{\scriptscriptstyle\parallel F} = 5.51$ was observed in the ferroelectric phase at $20~mK$. The the change of $Fe^{3+}$ ion center-symmetry in the $FeO_6$ complex as a soft-mode characteristics of ferroelectric phase transition and the influences of iron-oxygen-vacancy $(Fe^{3+}-V_O)$, interactively sensitive to asymmetry in the octahedral rotational parameter $\Phi$ in $SrTi0_3$.
2403.16299v1
2024-03-29
Synthesis and Characterization of Superparamagnetic Iron Oxide Nanoparticles: A Series of Laboratory Experiments
The following laboratory procedure provides students with a hands-on experience in nanomaterials chemistry and characterization. This three-day protocol is easy to follow for undergraduates with basic chemistry or materials science backgrounds and is suitable for inclusion in upper division courses in inorganic chemistry or materials science. Students use air-free chemistry procedures to synthesize and separate iron oxide magnetic nanoparticles and subsequently modify the nanoparticle surface using a chemical stripping agent. The morphology and chemical composition of the nanoparticles are characterized using electron microscopy and dynamic light scattering measurements. Additionally, magnetic characterization of the particles is performed using an open-source (3D-printed), inexpensive magnetophotometer. Possible modifications to the synthesis procedure including the incorporation of dopants to modify the magnetic response and alternative characterization techniques are discussed. The three-day synthesis, purification, and characterization laboratory will prepare students with crucial skills for advanced technology industries such as semiconductor manufacturing, nanomedicine, and green chemistry.
2403.19970v1
2024-04-10
Microbial iron reduction under oxic conditions: implications for subsurface biogeochemistry
Iron (Fe) reduction is one of Earth's most ancient microbial metabolisms, but after atmosphere-ocean oxygenation, this anaerobic process was relegated to niche anoxic environments below the water and soil surface. However, new technologies to monitor redox processes at the microscale relevant to microbial cells have recently revealed that the oxygen (O2) concentrations controlling the distribution of aerobic and anaerobic metabolisms are more heterogeneous than previously believed. To explore how O2 levels regulate microbial Fe reduction, we cultivated a facultative Fe-reducing bacterium using a cutting-edge microfluidic reactor integrated with transparent planar O2 sensors. Contrary to expectations, microbial growth induced Fe(III)-oxide (ferrihydrite) reduction under fully oxygenated conditions without forming O2-depleted microsites. Batch incubations highlighted the importance of the process at a larger scale, fundamentally changing our understanding of Fe cycling from the conceptualization of metal and nutrient mobility in the subsurface to our interpretation of Fe mineralogy in the rock record.
2404.07137v1
2021-06-15
Measurement of the Iron Spectrum in Cosmic Rays from 10 GeV$/n$ to 2.0 TeV$/n$ with the Calorimetric Electron Telescope on the International Space Station
The Calorimetric Electron Telescope (CALET), in operation on the International Space Station since 2015, collected a large sample of cosmic-ray iron over a wide energy interval. In this Letter a measurement of the iron spectrum is presented in the range of kinetic energy per nucleon from 10 GeV$/n$ to 2.0 TeV$/n$ allowing the inclusion of iron in the list of elements studied with unprecedented precision by space-borne instruments. The measurement is based on observations carried out from January 2016 to May 2020. The CALET instrument can identify individual nuclear species via a measurement of their electric charge with a dynamic range extending far beyond iron (up to atomic number $Z$ = 40). The energy is measured by a homogeneous calorimeter with a total equivalent thickness of 1.2 proton interaction lengths preceded by a thin (3 radiation lengths) imaging section providing tracking and energy sampling. The analysis of the data and the detailed assessment of systematic uncertainties are described and results are compared with the findings of previous experiments. The observed differential spectrum is consistent within the errors with previous experiments. In the region from 50 GeV$/n$ to 2 TeV$/n$ our present data are compatible with a single power law with spectral index -2.60 $\pm$ 0.03.
2106.08036v1
2023-04-13
Probing magnetic ordering in air stable iron-rich van der Waals minerals
In the rapidly expanding field of two-dimensional materials, magnetic monolayers show great promise for the future applications in nanoelectronics, data storage, and sensing. The research in intrinsically magnetic two-dimensional materials mainly focuses on synthetic iodide and telluride based compounds, which inherently suffer from the lack of ambient stability. So far, naturally occurring layered magnetic materials have been vastly overlooked. These minerals offer a unique opportunity to explore air-stable complex layered systems with high concentration of local moment bearing ions. We demonstrate magnetic ordering in iron-rich two-dimensional phyllosilicates, focusing on mineral species of minnesotaite, annite, and biotite. These are naturally occurring van der Waals magnetic materials which integrate local moment baring ions of iron via magnesium/aluminium substitution in their octahedral sites. Due to self-inherent capping by silicate/aluminate tetrahedral groups, ultra-thin layers are air-stable. Chemical characterization, quantitative elemental analysis, and iron oxidation states were determined via Raman spectroscopy, wavelength disperse X-ray spectroscopy, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy. Superconducting quantum interference device magnetometry measurements were performed to examine the magnetic ordering. These layered materials exhibit paramagnetic or superparamagnetic characteristics at room temperature. At low temperature ferrimagnetic or antiferromagnetic ordering occurs, with the critical ordering temperature of 38.7 K for minnesotaite, 36.1 K for annite, and 4.9 K for biotite. In-field magnetic force microscopy on iron bearing phyllosilicates confirmed the paramagnetic response at room temperature, present down to monolayers.
2304.06533v1
2023-11-08
A human brain atlas of chi-separation for normative iron and myelin distributions
Iron and myelin are primary susceptibility sources in the human brain. These substances are essential for healthy brain, and their abnormalities are often related to various neurological disorders. Recently, an advanced susceptibility mapping technique, which is referred to as chi-separation, has been proposed, successfully disentangling paramagnetic iron from diamagnetic myelin. This method opened a potential for generating high resolution iron and myelin maps in the brain. Utilizing this technique, this study constructs a normative chi-separation atlas from 106 healthy human brains. The resulting atlas provides detailed anatomical structures associated with the distributions of iron and myelin, clearly delineating subcortical nuclei, thalamic nuclei, and white matter fiber bundles. Additionally, susceptibility values in a number of regions of interest are reported along with age-dependent changes. This atlas may have direct applications such as localization of subcortical structures for deep brain stimulation or high-intensity focused ultrasound and also serve as a valuable resource for future research.
2311.04468v3
1997-12-18
ASCA detection of the FeK edge in the spectrum of the Seyfert 2 galaxy IRAS 04575-7537: a sign of a complex absorber
ASCA X-ray spectral analysis of the Seyfert 2 galaxy IRAS 04575-7537 is presented. The main result is the presence of a significant iron edge at a rest energy of 7.13^+0.21_-0.16 keV. The spectrum is flat (Gamma = 1.5) with a substantial absorption Nh = 10^22 cm^-2 and does not require any reflection component. There is also evidence of a narrow Fe Kalpha emission line, whose rest energy (E = 6.35^+0.08_ -0.03 keV) and equivalent width (EW = 130+-50 eV) suggest that the line originates from thick and cold matter. The intensity of the line and, in particular, the depth of the iron edge are too strong to be explained by simple transmission through the measured absorption column density. This strongly suggests that a model more complex than a single absorbed power law is needed. We propose an absorption model that we call "leaky-total absorber" which can explain the spectrum flatness, the iron emission line and the edge absorption feature and has also the advantage of having a straightforward physical interpretation in the framework of Unified models. In this model a thick absorber (Nh = 10^23 cm^-2), possibly associated with broad line region (BLR) clouds, partially (36 %) covers the source continuum with Gamma fixed to 1.9 as observed in Sey 1 galaxies. The escaping radiation is then absorbed by a column density Nh = 10^22 cm^-2, which can be attributed to the torus, seen through its rim.
9712250v1
1999-07-13
A Consistency Test of Spectroscopic Gravities for Late-Type Stars
Chemical analyses of late-type stars are usually carried out following the classical recipe: LTE line formation and homogeneous, plane-parallel, flux-constant, and LTE model atmospheres. We review different results in the literature that have suggested significant inconsistencies in the spectroscopic analyses, pointing out the difficulties in deriving independent estimates of the stellar fundamental parameters and hence,detecting systematic errors. The trigonometric parallaxes measured by the HIPPARCOS mission provide accurate appraisals of the stellar surface gravity for nearby stars, which are used here to check the gravities obtained from the photospheric iron ionization balance. We find an approximate agreement for stars in the metallicity range -1 <= [Fe/H] <= 0, but the comparison shows that the differences between the spectroscopic and trigonometric gravities decrease towards lower metallicities for more metal-deficient dwarfs (-2.5 <= [Fe/H] <= -1.0), which casts a shadow upon the abundance analyses for extreme metal-poor stars that make use of the ionization equilibrium to constrain the gravity. The comparison with the strong-line gravities derived by Edvardsson (1988) and Fuhrmann (1998a) confirms that this method provides systematically larger gravities than the ionization balance. The strong-line gravities get closer to the physical ones for the stars analyzed by Fuhrmann, but they are even further away than the iron ionization gravities for the stars of lower gravities in Edvardsson's sample. The confrontation of the deviations of the iron ionization gravities in metal-poor stars reported here with departures from the excitation balance found in the literature, show that they are likely to be induced by the same physical mechanism(s).
9907155v1
2000-01-07
The variability of the Seyfert galaxy NGC 2992: the case for a revived AGN
We report the transition to an active state of the nucleus in the Seyfert 1.9 galaxy NGC 2992, discovered by means of new hard X-ray data. While the 2-10 keV flux declined by a factor of ~ 20 from 1978 to 1994, two recent BeppoSAX observations in 1997 and in 1998 caught the nuclear emission raising back to the same level of activity observed in 1978. In both BeppoSAX observations the X-ray spectrum of the source is well represented by a power law with spectral index Gamma ~ 1.7, absorbed by a column density of N_H ~ 10^{22} cm^{-2} and characterized by a prominent iron K\alpha line. While in the second BeppoSAX data set the line properties appear to be consistent with those expected from accretion disc models, in the first BeppoSAX data set the iron feature is rather peculiar. The broadening is not significant and the line energy is E_{K\alpha}=6.62 +/- 0.07 keV, indicating emission from highly ionized iron. The line has too high equivalent width (~ 700 eV) to be produced by a hot scattering medium. By comparing these data with data previously in the literature, we interpret the spectral and flux changes in terms of different phases of rebuilding an accretion disc. The timescale for the disc rebuilding is estimated to range between 1 and 5 years. The X-ray data are complemented with optical and near-infrared followup spectra taken 1.5 months after the discovery of the X-ray burst. The spectra are characterized by prominent broad emission lines. There is also evidence for hot dust emission in the H and K bands that, however, is probably still in the process of increasing.
0001107v1
2000-08-31
Variable Iron K-alpha Lines in Seyfert 1 Galaxies
We find that variability of the iron K-alpha line is common in Seyfert 1 galaxies. Using data from the ASCA archive for objects that have been observed more than once during the mission, we study the time-averaged spectra from individual observations, thereby probing variability on timescales that range from days to years. Since the statistics of the data do not warrant searches for line variability in terms of a complex physical model, we use a a simple Gaussian to model the gross shape of the line, and then use the centroid energy, intensity and equivalent width as robust indicators of changes in the line profile. We find that ~70% of Seyfert 1s (ten out of fifteen) show variability in at least one of these parameters: the centroid energy, intensity, and equivalent width vary in six, four, and eight sources respectively. Due to the low S/N, limited sampling and time averaging, we consider these results to represent lower limits to the rate of incidence of variability. In most cases changes in the line do not appear to track changes in the continuum. In particular, we find no evidence for variability of the line intensity in NGC 4151, suggesting an origin in a region larger than the putative accretion disk, where most of the iron line has been thought to originate. Mkn 279 is investigated on short timescales. The time-averaged effective line energy is 6.5 keV in the galaxy rest frame. As the continuum flux increases by 20% in a few hours, the Fe K line responds with the effective line energy increasing by 0.22 keV (~10,500 km s^-1). Problems with the ASCA and Rosat calibration that affect simultaneous spectral fits are discussed in an appendix.
0008522v1
2000-09-13
First Stellar Abundances in NGC 6822 from VLT-UVES and Keck-HIRES Spectroscopy
We have obtained the first high resolution spectra of individual stars in the dwarf irregular galaxy, NGC 6822. The spectra of the two A-type supergiants were obtained at the VLT and Keck Observatories, using UVES and HIRES, respectively. A detailed model atmospheres analysis has been used to determine their atmospheric parameters and elemental abundances. The mean iron abundance from these two stars is $<$[Fe/H]$>=-$0.49 $\pm$0.22 ({\it $\pm$0.21}, with Cr yielding a similar underabundance, $<$[Cr/H]$>=-$0.50 $\pm$0.20 ({\it $\pm$0.16}). This confirms that NGC 6822 has a metallicity that is slightly higher than that of the SMC, and is the first determination of the present-day iron-group abundances in NGC 6822. The mean stellar oxygen abundance, 12+log(O/H)=8.36 $\pm$0.19 ({\it $\pm$0.21}),is in good agreement with the nebular oxygen results. Oxygen has the same underabundance as iron, $<$[O/Fe]$>$=+0.02 $\pm$0.20 ({\it $\pm$0.21}). This O/Fe ratio is very similar to that seen in the Magellanic Clouds, which supports the picture that chemical evolution occurs more slowly in these lower mass galaxies, although the O/Fe ratio is also consistent with that observed in comparatively metal-poor stars in the Galactic disk. Combining all of the available abundance observations for NGC 6822 shows that there is no trend in abundance with galactocentric distance. However, a subset of the highest quality data are consistent with a radial abundance gradient.
0009213v1
2000-10-17
Estimation of relativistic accretion disk parameters from iron line emission
The observed iron K-alpha fluorescence lines in Seyfert-1 galaxies provide strong evidence for an accretion disk near a supermassive black hole as a source of the emission. Here we present an analysis of the geometrical and kinematic properties of the disk based on the extreme frequency shifts of a line profile as determined by measurable flux in both the red and blue wings. The edges of the line are insensitive to the distribution of the X-ray flux over the disk, and hence provide a robust alternative to profile fitting of disk parameters. Our approach yields new, strong bounds on the inclination angle of the disk and the location of the emitting region. We apply our method to interpret observational data from MCG-6-30-15 and find that the commonly assumed inclination 30 deg for the accretion disk in MCG-6-30-15 is inconsistent with the position of the blue edge of the line at a 3 sigma level. A thick turbulent disk model or the presence of highly ionized iron may reconcile the bounds on inclination from the line edges with the full line profile fits based on simple, geometrically thin disk models. The bounds on the innermost radius of disk emission indicate that the black hole in MCG-6-30-15 is rotating faster than 30 % of theoretical maximum. When applied to data from NGC 4151, our method gives bounds on the inclination angle of the X-ray emitting inner disk of 50\pm 10 deg, consistent with the presence of an ionization cone grazing the disk as proposed by Pedlar et al. (1993). The frequency extrema analysis also provides limits to the innermost disk radius in another Seyfert-1 galaxy, NGC 3516.
0010318v1
2001-03-07
Chandra observtaion of A2256 - a cluster at the early stage of merging
We present here \chandra observations of the rich cluster of galaxies A2256. In addition to the known cool subcluster, a new structure was resolved 2$'$ east of the peak of the main cluster. Its position is roughtly at the center of a low-brightness radio halo. Spectral analysis shows that the "shoulder" has high iron abundance ($\sim$ 1). We suggest that this structure is either another merging component or an internal structure of the main cluster. The X-ray redshifts of several regions were measured. The results agree with the optical ones and suggest that the main cluster, the subcluster and the "shoulder" are physically associated and interacting. The subcluster has low temperature ($\sim$ 4.5 keV) and high iron abundance ($\sim$ 0.6) in the central 150 kpc. The \chandra image shows a relatively sharp brightness gradient at the south of the subcluster peak running south-south-east (SSE). A temperature jump was found across the edge, with higher temperature ahead of the edge in the low density region. This phenomenon is qualitatively similar to the "cold fronts" found in A2142 and A3667. If the "shoulder" is ignored, the temperature map resembles those simulations at the early stage of merging while the subcluster approached the main cluster from somewhere west. This fact and the observed edge, in combination with the clear iron abundance contrast between the center of the subcluster ($\sim$ 0.6) and the main cluster ($\sim$ 0.2), all imply that the ongoing merger is still at the early stage. At least three member galaxies, including a radio head-tail galaxy, were found to have corresponding X-ray emission.
0103103v2
2001-03-15
Nucleosynthesis of Zinc and Iron-Peak Elements in Pop III Type II Supernovae : Comparison with abundances of Very Metal-Poor Halo Stars
We calculate nucleosynthesis in core-collapse explosions of massive Pop III stars, and compare the results with abundances of metal-poor halo stars to constrain the parameters of Pop III supernovae. We focus on iron-peak elements and, in particular, we try to reproduce the large [Zn/Fe] observed in extremely metal-poor stars. The interesting trends of the observed ratios [Zn, Co, Mn, Cr, V/Fe] can be related to the variation of the relative mass of the complete and incomplete Si-burning regions in supernova ejecta. We find that [Zn/Fe] is larger for deeper mass-cuts, smaller neutron excess, and larger explosion energies. The large [Zn/Fe] and [O/Fe] observed in the very metal-poor halo stars suggest deep mixing of complete Si-burning material and a significant amount of fall-back in Type II supernovae. Furthermore, large explosion energies (E_51 >~ 2 for M ~ 13 Msun and E_51 >~ 20 for M >~ 20 Msun) are required to reproduce [Zn/Fe] ~ 0.5. The observed trends of the abundance ratios among the iron-peak elements are better explained with this high energy (``Hypernova'') models rather than the simple ``deep'' mass-cut effect, because the overabundance of Ni can be avoided in the hypernova models. We also present the yields of pair-instability supernova explosions of M = 130 - 300 Msun stars, and discuss that the abundance features of very metal-poor stars cannot be explained by pair-instability supernovae.
0103241v4
2001-04-10
Partially Absorbed Comptonization Spectrum from the Nearly Edge-on Source X 1822-371
We report the results of a spectral analysis over the range 0.1-200 keV performed on the dipping source X 1822-371 observed by BeppoSAX. We find the best fit to the continuum using a partially covered Comptonization model, due to scattering off soft seed photons by electrons at a temperature of ~4.8 keV, without the presence of any soft blackbody emission. The equivalent hydrogen column obtained for the absorbed component is ~4.5 10^{22} cm^{-2}, an order of magnitude larger than the Galactic absorption for this source, and the covering fraction is ~71%. Because the inclination angle of X 1822-371 to the line of sight is ~85^\circ, this model gives a reasonable scenario for the source: the Comptonized spectrum could come from an extended accretion disk corona (ADC), probably the only region that can be directly observed due to the high inclination. The excess of matter producing the partial covering could be close to the equatorial plane of the system, above the outer disk, occulting the emission from the inner disk and the inner part of the ADC. An iron emission line is also present at ~6.5 keV with an equivalent width of ~150 eV. We argue that this strong iron line cannot be explained as reflection of the Comptonized spectrum by the accretion disk. It is probably produced in the ADC. An emission line at ~1.9 keV (with an equivalent width of ~54 eV) and an absorption edge at \~8.7 keV (with an optical depth of ~0.1) are also required to fit this spectrum. These features are probably produced by highly ionized iron (Fe XXIV) present in the outer part of the ADC, where the plasma density is \~10^{11}-10^{12} cm^{-3} and ionized plasma is present.
0104171v2
2001-09-21
A Chandra HETG Observation of the Quasar H 1821+643 and Its Surrounding Cluster
We present the high-resolution X-ray spectrum of the low-redshift quasar H 1821+643 and its surrounding hot cluster observed with the Chandra High Energy Transmission Grating Spectrometer (HETGS). An iron emission line attributed to the quasar at ~6.43 keV (rest frame) is clearly resolved, with an equivalent width of ~100 eV. Although we cannot rule out contributions to the line from a putative torus, the diskline model provides an acceptable fit to this iron line. We also detect a weak emission feature at ~6.9 keV (rest frame). We suggest that both lines could originate in an accretion disk comprised of a highly ionized optically thin atmosphere sitting atop a mostly neutral disk. We search for absorption features from a warm/hot component of the intergalactic medium along the ~1.5Gpc/h line of sight to the quasar. No absorption features are detected at or above the 3 sigma level while a total of six OVI intervening absorption systems have been detected with HST and FUSE. Based on the lack of OVII and OVIII absorption lines and by assuming collisionally ionization, we constrain the gas temperature of a typical OVI absorber to 10^5 < T < 10^6 K, which is consistent with the results from hydrodynamic simulations of the intergalactic medium. The zeroth order image reveals the extended emission from the surrounding cluster. We have been able to separate the moderate CCD X-ray spectrum of the surrounding cluster from the central quasar and find that this is a hot cluster with a temperature of ~10 keV and a metal abundance of ~0.3 Zo. We also independently obtain the redshift of the cluster, which is consistent with the optical results. We estimate that the cluster makes negligible contributions to the 6.9 keV iron K line flux.
0109389v1
2003-02-21
The iron $K_α$-line diagnostics of a rotational black hole metric
The original idea to show the spacetime geometry using few geodesics was developed by Johnson and Ruffini (1974). We used this idea to interpret the observational data for rotating BH's. We developed the imitation approach to simulate a propagation of radiation near BH's. An important problem for this approach is the diagnostics of a black hole metric using X-ray observational data of the iron $K_\alpha$-line. Observations of Seyfert galaxies in X-ray region reveal the broad emissiion lines in their spectra, which can arise in inner parts of accretion disks, where the effects of General Relativity (GR) must be counted. A spectrum of a solitary emission line (the $K_\alpha$-line of iron, for example) of a hot spot in Kerr accretion disk is simulated, depending on the radial coordinate $r$ and the angular momentum $a=J/M$ of a black hole, under the assumption of an equatorial circular motion of a hot spot. Using results of numerical simulations it is shown that the characteristic two-peak line profile with the sharp edges arises at a large distance, (about $r \approx (3-10)r_g$). The inner regions emit the line, which is observed with one maximum and extremely broad red wing. High accuracy future spectral observations, being carried out, could detect the angular momentum $a$ of the black hole. We analyzed the different parameters of problems on the observable shape of this line and discussed some possible kinds of these shapes. The total number of geodesics is about $10^9$ (to simulate possible shapes of the $K_\alpha$-line), so the number is great enough, especially in comparison with few geodesics in the original paper by Johnson and Ruffini (1974).
0302454v1
2003-09-22
The Effects of Binary Evolution on the Dynamics of Core Collapse and Neutron-Star Kicks
We systematically examine how the presence in a binary affects the final core structure of a massive star and its consequences for the subsequent supernova explosion. Interactions with a companion star may change the final rate of rotation, the size of the helium core, the strength of carbon burning and the final iron core mass. Stars with initial masses larger than \sim 11\Ms that experiece core collapse will generally have smaller iron cores at the time of the explosion if they lost their envelopes due to a previous binary interaction. Stars below \sim 11\Ms, on the other hand, can end up with larger helium and metal cores if they have a close companion, since the second dredge-up phase which reduces the helium core mass dramatically in single stars does not occur once the hydrogen envelope is lost. We find that the initially more massive stars in binary systems with masses in the range 8 - 11\Ms are likely to undergo an electron-capture supernova, while single stars in the same mass range would end as ONeMg white dwarfs. We suggest that the core collapse in an electron-capture supernova (and possibly in the case of relatively small iron cores) leads to a prompt explosion rather than a delayed neutrino-driven explosion and that this naturally produces neutron stars with low-velocity kicks. This leads to a dichotomous distribution of neutron star kicks, as inferred previously, where neutron stars in relatively close binaries attain low kick velocities. We illustrate the consequences of such a dichotomous kick scenario using binary population synthesis simulations and discuss its implications. This scenario has also important consequences for the minimum initial mass of a massive star that becomes a neutron star. (Abbreviated.)
0309588v2
2003-09-25
Close and distant reprocessing media in Mkn509 studied with BeppoSAX
We present the broad band analysis of two BeppoSAX observations of the Sy 1 Mkn509. In 2000 the source was in a typical flux state, F{2-10keV}=2.7x10^{-11}erg cm^{-2} s^{-1}, while in 1998 it was found in a high flux state, F{2-10keV}=5.7x10^{-11} erg cm^{-2} s^{-1}. A comparison between the two states shows a energy-dependent flux variation. A soft excess, a narrow iron line and a Compton reflection hump above 10 keV, are clearly apparent in the residuals after fitting the spectra with a simple power law. We tested two alternative models. In the first the iron line and the high energy bump are well reproduced by reprocessing in a cold and Compton thick material. The intensity of the iron line (also consistent with a Chandra measurement) as well as the normalization of the reflection hump are consistent with a constant in the two epochs: this, combined with the fact that the line is narrow as observed by Chandra, suggests a common origin from distant and optically thick matter. This model further requires a component to model the soft excess: the empirical choice of two black bodies accounts well for the excess in both observations, their combined strength was a factor about three higher in the high than in the low flux state defined above. However the relative contribution of the soft excess is higher in the low flux state. In the second model we attempted to reproduce all spectral features, except for the narrow cold line, with reflection from an ionized disc. This model is successful only in the high flux state,but it fails in the low flux state, when the soft excess is only partially accounted for. In either models, the slope of the power law is larger in the high than in the low flux state, in agreement with a behaviour known to be shared by several objects of the same type.
0309699v1
2003-10-20
Chandra X-ray Observations of NGC 4258: Iron Absorption Lines from the Nucleus
We report sub-arcsecond resolution X-ray imaging spectroscopy of the low luminosity active galactic nucleus of NGC 4258 and its immediate surroundings with the Chandra X-ray Observatory. NGC 4258 was observed four times, with the first two observations separated by one month, followed over a year later by two consecutive observations. The spectrum of the nucleus is well described by a heavily absorbed, hard X-ray power law of variable luminosity, plus a constant, thermal soft X-ray component. We do not detect an iron K alpha emission line with the upper limit to the equivalent width of a narrow, neutral iron line ranging between 94 and 887 eV (90% confidence) for the different observations. During the second observation on 2000-04-17, two narrow absorption features are seen with >99.5% confidence at ~6.4 keV and ~6.9 keV, which we identify as resonant absorption lines of Fe XVIII - Fe XIX K alpha and Fe XXVI K alpha, respectively. In addition, the 6.9 keV absorption line is probably variable on a timescale of ~6000 sec. The absorption lines are analyzed through a curve of growth analysis, which allows the relationship between ionic column and kinematic temperature or velocity dispersion to be obtained for the observed equivalent widths. We discuss the properties of the absorbing gas for both photo and collisionally ionized models. Given that the maser disk is viewed at an inclination i = 82 degrees, the gas responsible for the 6.9 keV absorption line may be in an inner disk, a disk-wind boundary layer or be thermal gas entrained at the base of the jet. The gas which gives rise to the photoelectric absorption may be the same as that which causes the 6.4 keV Fe K alpha absorption provided that the gas has a bulk velocity dispersion of a few thousand km/s. (Abstract abridged).
0310553v1
2004-07-22
XMM-Newton observation of the Seyfert 1.8 ESO 113-G010: discovery of a highly redshifted iron line at 5.4 keV
We present a spectral analysis of the Seyfert 1.8 ESO 113-G010 observed with XMM-Newton for 4 ks. The spectrum shows a soft excess below 0.7 keV and more interestingly a narrow emission Gaussian line at 5.4 keV (in its rest-frame), most probably originating from a redshifted iron Kalpha line. No significant line at or above 6.4 keV is found contrary to other objects showing redshifted lines, ruling out a strong blue-wing to the line profile. The line is detected at 99% confidence, from performing Monte Carlo simulations which fully account for the range of energies where a narrow iron line is likely to occur. The energy of the line could indicate emission from relativistic (0.17 - 0.23 c) ejected matter moving away from the observer, as proposed for Mrk 766 by Turner et al. (2004). Alternatively, the emission from a narrow annulus at the surface of the accretion disk is unlikely due to the very small inclination angle (i.e. less than 10 deg) required to explain the narrow, redshifted line in this intermediate Seyfert galaxy. However emission from a small, localized hot-spot on the disk, occurring within a fraction of a complete disk orbit, could also explain the redshifted line. This scenario would be directly testable in a longer observation, as one would see significant variations in the energy and intensity of the line within an orbital timescale.
0407472v2
2004-08-12
The Li Overabundance of J37: Diffusion or Accretion?
In September 2002 the discovery of a super Li-rich F-dwarf (J37) in NGC 6633, an iron poor analogue of the better studied Hyades and Praecepe open clusters, was announced. This unique star was thought to be the smoking gun for the action of diffusion, models of which predict a narrow "Li-peak" at approximately the correct temperature. However, with more detailed studies into J37s abundance pattern this star provides firm evidence for the accretion of planetesimals or other material from the circumstellar environment of new born stars. Thanks to the specific predictions made about the behaviour of Be abundances, (the most striking of which being no Be in super-Li-rich dwarfs subject to diffusion) the opposing diffusion/accretion predictions can be tested. Initial modelling of the Be line indicates that J37 is as Be rich as it is Li rich; log N(Be) = 2.25 +/- 0.25, and so is broadly consistent with an accretion-fuelled enhancement. However, that both Li and Be are enhanced by much more than the iron-peak elements (as determined in previous studies) suggests that diffusion also plays a role in increasing the abundances of Li and Be specifically. Furthermore, a new data set from the UVES/UT2 combination has allowed the elemental abundance of Iron to be measured, and the set of preliminary stellar parameters determined; Teff ~ 7340 K, log g ~ 4.1, microturbulence ~ 4.3 km/s, [Fe/H] ~ 0.50. This again provides distinct evidence for the effects of accretion in J37 and requires a new synthesis of the Be doublet.
0408223v1
2004-09-29
Chemical Abundances for Seven Giant Stars in M68 (NGC 4590) : A Globular Cluster with Abnormal Silicon and Titanium Abundances
We present a detailed chemical abundance study of seven giant stars in M68 including six red giants and one post-AGB star. We find significant differences in the gravities determined using photometry and those obtained from ionization balance, which suggests that non-LTE effects are important for these low-gravity, metal-poor stars. We adopt an iron abundance using photometric gravities and Fe II lines to minimize those effects, finding [Fe/H] = -2.16 +/- 0.02. For element-to-iron ratios,we rely on neutral lines vs. Fe I and ionized lines vs. FeII (except for [O/Fe]) to also minimize non-LTE effects. We find variations in the abundances of sodium among the program stars. However, there is no correlation (or anti-correlation) with the oxygen abundances. Further, the post-AGB star has a normal (low) abundance of sodium. Both of these facts add further support to the idea that the variations seen among some light elements within individual globular clusters arises from primordial variations, and not from deep mixing. M68, like M15, shows elevated abundances of silicon compared to other globular clusters and comparable metallicity field stars. But M68 deviates even more in showing a relative underabundance of titanium. We speculate that in M68, titanium is behaving like an iron-peak element rather than its more commonly observed adherence to enhancements seen in the "alpha" elements such as magnesium, silicon, and calcium. We interpret this result as implying that the chemical enrichment seen in M68 may have arisen from contributions from supernovae with somewhat more massive progenitors than contribute normally to abundances seen in other globular clusters.
0409706v1
2005-04-14
Three-dimensional modeling of Type Ia supernovae - The power of late time spectra
Late time synthetic spectra of Type Ia supernovae, based on three-dimensional deflagration models, are presented. We mainly focus on one model,"c3_3d_256_10s", for which the hydrodynamics (Roepke 2005) and nucleosynthesis (Travaglio et al. 2004) was calculated up to the homologous phase of the explosion. Other models with different ignition conditions and different resolution are also briefly discussed. The synthetic spectra are compared to observed late time spectra. We find that while the model spectra after 300 to 500 days show a good agreement with the observed Fe II-III features, they also show too strong O I and C I lines compared to the observed late time spectra. The oxygen and carbon emission originates from the low-velocity unburned material in the central regions of these models. To get agreement between the models and observations we find that only a small mass of unburned material may be left in the center after the explosion. This may be a problem for pure deflagration models, although improved initial conditions, as well as higher resolution decrease the discrepancy. The relative intensity from the different ionization stages of iron is sensitive to the density of the emitting iron-rich material. We find that clumping, with the presence of low density regions, is needed to reproduce the observed iron emission, especially in the range between 4000 and 6000 AA. Both temperature and ionization depend sensitively on density, abundances and radioactive content. This work therefore illustrates the importance of including the inhomogeneous nature of realistic three-dimensional explosion models. We briefly discuss the implications of the spectral modeling for the nature of the explosion.
0504317v1
2006-02-25
Probing Multiple Sight Lines through the SN 1006 Remnant by UV Absorption Spectroscopy
Absorption-line spectroscopy is an effective probe for cold ejecta within an SNR, provided that suitable background UV sources can be identified. For the SN 1006 remnant we have identified four such sources, in addition to the much-studied Schweitzer-Middleditch (SM) star. We have used STIS on HST to obtain UV spectra of all four sources, to study "core samples" of the SN 1006 interior. The line of sight closest to the center of the SNR shell, passing only 2.0 arcmin away, is to a V = 19.5 QSO at z = 1.026. Its spectrum shows broad Fe II absorption lines, asymmetric with red wings broader than blue. The similarity of these profiles to those seen in the SM star, which is 2.8 arcmin from the center in the opposite direction, confirms the existence of a bulge on the far side of SN 1006. The Fe II equivalent widths in the QSO spectrum are ~ 50% greater than in the SM star, suggesting that somewhat more iron may be present within SN 1006 than studies of the SM star alone have indicated, but this is still far short of what most SNIa models require. The absorption spectrum against a brighter z = 0.337 QSO seen at 57% of the shell radius shows broad silicon absorption lines but no iron other than narrow, probably interstellar lines. The cold iron expanding in this direction must be confined within v <~ 5200 km/s, also consistent with a high-velocity bulge on the far side only. The broad silicon lines indicate that the silicon layer has expanded beyond this point, and that it has probably been heated by a reverse shock. Finally, the spectra of two ~ A0V stars near the southern shell rim show no broad or unusually strong absorption lines, suggesting that the low-ionization ejecta are confined within 83% of the shell radius, at least at the azimuths of these background sources.
0602555v1
2006-05-15
Accretion processes in AGN: The X-ray View
We discuss constraints on the physics of the inner accretion disk, as well as the properties of the black hole itself, that can be derived by a detailed examination of the relativistically broadened spectral features (especially the fluorescent iron line) in the Seyfert galaxy MCG-6-30-15. To begin with, we show that spectral models which purport to eliminate the broad iron line in MCG-6-30-15 by invoking a moderately high ionization absorber are ruled out by recent high-resolution spectra from the Chandra High Energy Transmission Gratings. We then discuss the comparison of XMM-Newton data with accretion disk models. The "standard'' black hole disk model of Novikov, Page and Thorne supplemented by the so-called local corona assumption fails to produce sufficient broadening; this indicates that the real accretion disk in MCG-6-30-15 has significantly more centrally concentrated pattern of X-ray irradiation that predicted by this model. We discuss two possible resolutions. Firstly, the inner disk may be energized from torques imposed by magnetic connections between the disk-proper and either the plunging region or the rotating event horizon itself. Secondly, X-ray emission from a high-latitude source (such as would be the case of the X-ray source is actually the base of a jet) would be gravitationally focused onto the central portions of the disk. We discuss how spectral variability may be used to examine these possibilities and highlight the still outstanding mystery concerning the anti-correlation between the iron line equivalent width and relative normalization of the Compton reflection hump. We end with a few words about the exciting future of these studies in the future era of Constellation-X and LISA.
0605368v1
2006-11-09
Medium resolution spectroscopy in Omega Centauri: abundances of 400 subgiant and turn-off region
Medium resolution spectra of more than 400 subgiant and turn-off region stars in Omega Centauri were analysed. The observations were performed at the VLT/Paranal with FORS2/MXU. In order to determine the metallicities of the sample stars, we defined a set of line indices (mostly iron) adjusted to the resolution of our spectra. The indices as determined for Omega Centauri were then compared to line indices from stars in the chemically homogeneous globular cluster M55, in addition to standard stars and synthetic spectra. The uncertainties in the derived metallicities are of the order of 0.2 dex. Our study confirms the large variations in iron abundances found on the giant branch in earlier studies (-2.2 <[Fe/H]< -0.7 dex). In addition, we studied the alpha-element and CN/CH abundances. Stars of different metallicity groups not only show distinct ages, but also different behaviours in their relative abundances. The alpha abundances increase smoothly with increasing metallicity resulting in a flat [alpha/Fe] ratio over the whole observed metallicity range. The combined CN+CH abundance increases smoothly with increasing iron abundance. The most metal-rich stars are CN-enriched. In a CN vs. CH plot, though, the individual abundances divide into CN- and CH-rich branches. The large abundance variations observed in our sample of (unevolved) subgiant branch stars most probably have their origin in the pre-enriched material rather than in internal mixing effects. Together with the age spread of the different sub-populations, our findings favour the formation of Omega Centauri within a more massive progenitor.
0611286v1
2006-12-28
Probing the Disk-jet Connection of the Radio Galaxy 3C120 Observed with Suzaku
Broad line radio galaxies (BLRGs) are a rare type of radio-loud AGN, in which the broad optical permitted emission lines have been detected in addition to the extended jet emission. Here we report on deep (40ksec x4) observations of the bright BLRG 3C~120 using Suzaku. The observations were spaced a week apart, and sample a range of continuum fluxes. An excellent broadband spectrum was obtained over two decades of frequency (0.6 to 50 keV) within each 40 ksec exposure. We clearly resolved the iron K emission line complex, finding that it consists of a narrow K_a core (sigma ~ 110 eV or an EW of 60 eV), a 6.9 keV line, and an underlying broad iron line. Our confirmation of the broad line contrasts with the XMM-Newton observation in 2003, where the broad line was not required. The most natural interpretation of the broad line is iron K line emission from a face-on accretion disk which is truncated at ~10 r_g. Above 10 keV, a relatively weak Compton hump was detected (reflection fraction of R ~ 0.6), superposed on the primary X-ray continuum of Gamma ~ 1.75. Thanks to the good photon statistics and low background of the Suzaku data, we clearly confirm the spectral evolution of 3C120, whereby the variability amplitude decreases with increasing energy. More strikingly, we discovered that the variability is caused by a steep power-law component of Gamma ~2.7, possibly related to the non-thermal jet emission. We discuss our findings in the context of similarities and differences between radio-loud/quiet objects.
0612754v1
2007-02-16
Accretion of chemically fractionated material on a wide binary with a blue straggler
The components of the wide binary HIP64030=HD 113984 show a large (about 0.25 dex) iron content difference (Desidera et al.~2006 A&A 454, 581). The positions of the components on the color magnitude diagram suggest that the primary is a blue straggler. We studied the abundance difference of several elements besides iron, and we searched for stellar and substellar companions around the components to unveil the origin of the observed iron difference. A line-by-line differential abundance analysis for several elements was performed, while suitable spectral synthesis was performed for C, N, and Li. High precision radial velocities obtained with the iodine cell were combined with available literature data. The analysis of additional elements shows that the abundance difference for the elements studied increases with increasing condensation temperature, suggesting that accretion of chemically fractionated material might have occurred in the system. Alteration of C and N likely due to CNO processing is also observed. We also show that the primary is a spectroscopic binary with a period of 445 days and moderate eccentricity. The minimum mass of the companion is 0.17 Msun. Two scenarios were explored to explain the observed abundance pattern. In the first, all abundance anomalies arise on the blue straggler. If this is the case, the dust-gas separation may have been occurred in a circumbinary disk around the blue straggler and its expected white dwarf companion, as observed in several RV Tauri and post AGB binaries. In the second scenario, accretion of dust-rich material occurred on the secondary. This would also explain the anomalous carbon isotopic ratio of the secondary. Such a scenario requires that a substantial amount of mass lost by the central binary has been accreted by the wide component.
0702439v1
2007-07-17
Wide-band spectroscopy of the Compton thick Seyfert 2 galaxy Mrk 3 with Suzaku
We obtained a wide-band spectrum of the Compton-thick Seyfert 2 galaxy Mrk 3 with Suzaku. The observed spectrum was clearly resolved into weak, soft power-law emission, a heavily absorbed power-law component, cold reflection, and many emission lines. The heavily absorbed component, absorbed by gas with a column density of 1.1x10^24 cm^-2, has an intrinsic 2--10 keV luminosity of ~1.6x10^43 erg s^-1, and is considered to be direct emission from the Mrk 3 nucleus. The reflection component was interpreted as reflection of the direct light off cold, thick material; the reflection fraction $R$ was 1.36+/-0.20. The cold material is inferred to be located > 1 pc from the central black hole of Mrk 3 due to the low ionization parameter of iron (xi < 1 erg cm s^-1) and the narrow iron line width (s < 22 eV). A Compton shoulder to the iron line was detected, but the intensity of the shoulder component was less than that expected from spherically distributed Compton-thick material. The weak, soft power-law emission is considered to be scattered light by ionized gas. The existence of many highly-ionized lines from O, Ne, Mg, Si, S, and Fe in the observed spectrum indicates that the ionized gas has a broad ionized structure, with xi=10--1000. The scattering fraction with respect to the direct light was estimated to be 0.9+/-0.2%, which indicates that the column density of the scattering region is about 3.6x10^22 cm^-2. This high-quality spectrum obtained by Suzaku can be considered a template for studies of Seyfert 2 galaxies.
0707.2425v1
2007-07-19
Relativistic Iron K Emission and absorption in the Seyfert 1.9 galaxy MCG-5-23-16
We present the results of the simultaneous deep XMM and Chandra observations of the bright Seyfert 1.9 galaxy MCG-5-23-16, which is thought to have one of the best known examples of a relativistically broadened iron K-alpha line. The time averaged spectral analysis shows that the iron K-shell complex is best modeled with an unresolved narrow emission component (FWHM < 5000 km/s, EW ~ 60 eV) plus a broad component. This latter component has FWHM ~ 44000 km/s and EW ~ 50 eV. Its profile is well described by an emission line originating from an accretion disk viewed with an inclination angle ~ 40^\circ and with the emission arising from within a few tens of gravitational radii of the central black hole. The time-resolved spectral analysis of the XMM EPIC-pn spectrum shows that both the narrow and broad components of the Fe K emission line appear to be constant in time within the errors. We detected a narrow sporadic absorption line at 7.7 keV which appears to be variable on a time-scale of 20 ksec. If associated with Fe XXVI Ly-alpha this absorption is indicative of a possibly variable, high ionization, high velocity outflow. The variability of this absorption feature appears to rule out a local (z=0) origin. The analysis of the XMM RGS spectrum reveals that the soft X-ray emission of MCG-5-23-16 is likely dominated by several emission lines superimposed on an unabsorbed scattered power-law continuum. The lack of strong Fe L shell emission together with the detection of a strong forbidden line in the O VII triplet is consistent with a scenario where the soft X-ray emission lines are produced in a plasma photoionized by the nuclear emission.
0707.2950v1
2007-07-26
Different Methods of Forming Cold Fronts in Non-Merging Clusters
Sharp edges in X-ray surface brightness with continuous gas pressure called cold fronts have been often found in relaxed galaxy clusters such as Abell 496. Models that explain cold fronts as surviving cores of head-on subcluster mergers do not work well for these clusters and competing models involving gas sloshing have been recently proposed. Here, we test some concrete predictions of these models in a combined analysis of density, temperature, metal abundances and abundance ratios in a deep Chandra exposure of Abell 496. We confirm that the chemical discontinuities found in this cluster are not consistent with a core merger remnant scenario. However, we find chemical gradients across a spiral "arm" discovered at 73 kpc north of the cluster center and coincident with the sharp edge of the main cold front in the cluster. Despite the overall SN Ia iron mass fraction dominance found within the cooling radius of this cluster, the metal enrichment along the arm, determined from silicon and iron abundances, is consistent with a lower SN Ia iron mass fraction (51% +- 14%) than that measured in the surrounding regions (85% +- 14%). The "arm" is also significantly colder than the surroundings by 0.5-1.6 keV. The arm extends from a boxy colder region surrounding the center of the cluster, where two other cold fronts are found. This cold arm is a prediction of current high resolution numerical simulations as a result of an off-center encounter with a less massive pure dark matter halo and we suggest that the cold fronts in A496 provide the first clear corroboration of such model, where the closest encounter happened ~ 0.5 Gyr ago. We also argue for a possible candidate dark matter halo responsible for the cold fronts in the outskirts of A496.
0707.4001v1
2007-08-25
Modeling the chemical evolution of Omega Centauri using three-dimensional hydrodynamical simulations
We present a hydrodynamical and chemical model for the globular cluster Omega Cen, under the assumption that it is the remnant of an ancient dwarf spheroidal galaxy (dSph), the bulk of which was disrupted and accreted by our Galaxy ~10 Gyr ago. We highlight the very different roles played by Type II and Type Ia supernovae (SNe) in the chemical enrichment of the inner regions of the putative parent dSph. While the SNe II pollute the interstellar medium rather uniformly, the SNe Ia ejecta may remain confined inside dense pockets of gas as long as succesive SNe II explosions spread them out. Stars forming in such pockets have lower alpha-to-iron ratios than the stars forming elsewhere. Owing to the inhomogeneous pollution by SNe Ia, the metal distribution of the stars in the central region differs substantially from that of the main population of the dwarf galaxy, and resembles that observed in Omega Cen. This inhomogeneous mixing is also responsible for a radial segregation of iron-rich stars with depleted [alpha/Fe] ratios, as observed in some dSphs. Assuming a star formation history of ~1.5 Gyr, our model succeeds in reproducing both the iron and calcium distributions observed in Omega Cen and the main features observed in the empirical alpha/Fe versus Fe/H plane. Finally, our model reproduces the overall spread of the color-magnitude diagram, but fails in reproducing the morphology of the SGB-a and the double morphology of the main sequence. However, the inhomogeneous pollution reduces (but does not eliminate) the need for a significantly enhanced helium abundance to explain the anomalous position of the blue main sequence. Further models taking into account the dynamical interaction of the parent dwarf galaxy with the Milky Way and the effect of AGB pollution will be required.
0708.3445v1
2007-09-10
Iron lines from transient and persisting hot spots on AGN accretion disks
[abridged] We model the X-ray reprocessing from a strong co-rotating flare above an accretion disk in active galactic nuclei. We explore the horizontal structure and evolution of the underlying hot spot. To obtain the spectral evolution seen by a distant observer, we apply a general relativity ray-tracing technique. We concentrate on the energy band around the iron K-line, where the relativistic effects are most pronounced. Persistent flares lasting for a significant fraction of the orbital time scale and short, transient flares are considered. In our time-resolved analysis, the spectra recorded by a distant observer depend on the position of the flare/spot with respect to the central black hole. If the flare duration significantly exceeds the light travel time across the spot, then the spot horizontal stratification is unimportant. On the other hand, if the flare duration is comparable to the light travel time across the spot radius, the lightcurves exhibit a typical asymmetry in their time profiles. The sequence of dynamical spectra proceeds from more strongly to less strongly ionized re-emission. At all locations within the spot the spectral intensity increases towards edge-on emission angles, revealing the limb brightening effect. Future X-ray observatories with significantly larger effective collecting areas will enable to spectroscopically map out the azimuthal irradiation structure of the accretion disk and to localize persistent flares. If the hot spot is not located too close to the marginally stable orbit of the black hole, it will be possible to probe the reflecting medium via the sub-structure of the iron K-line. Indications for transient flares will only be obtained from analyzing the observed lightcurves on the gravitational time scale of the accreting supermassive black hole.
0709.1356v1
2007-10-31
The Proto-neutron Star Phase of the Collapsar Model and the Route to Long-soft Gamma-ray Bursts and Hypernovae
Recent stellar evolutionary calculations of low-metallicity massive fast-rotating main-sequence stars yield iron cores at collapse endowed with high angular momentum. It is thought that high angular momentum and black hole formation are critical ingredients of the collapsar model of long-soft gamma-ray bursts (GRBs). Here, we present 2D multi-group, flux-limited-diffusion MHD simulations of the collapse, bounce, and immediate post-bounce phases of a 35-Msun collapsar-candidate model of Woosley & Heger. We find that, provided the magneto-rotational instability (MRI) operates in the differentially-rotating surface layers of the millisecond-period neutron star, a magnetically-driven explosion ensues during the proto-neutron star phase, in the form of a baryon-loaded non-relativistic jet, and that a black hole, central to the collapsar model, does not form. Paradoxically, and although much uncertainty surrounds stellar mass loss, angular momentum transport, magnetic fields, and the MRI, current models of chemically homogeneous evolution at low metallicity yield massive stars with iron cores that may have too much angular momentum to avoid a magnetically-driven, hypernova-like, explosion in the immediate post-bounce phase. We surmise that fast rotation in the iron core may inhibit, rather than enable, collapsar formation, which requires a large angular momentum not in the core but above it. Variations in the angular momentum distribution of massive stars at core collapse might explain both the diversity of Type Ic supernovae/hypernovae and their possible association with a GRB. A corollary might be that, rather than the progenitor mass, the angular momentum distribution, through its effect on magnetic field amplification, distinguishes these outcomes.
0710.5789v2
2008-02-14
Complexity on Small Scales III: Iron and alpha Element Abundances in the Carina Dwarf Spheroidal Galaxy
We have obtained high-resolution spectroscopy of ten red giants in the Carina dwarf spheroidal (dSph) with UVES at the ESO/VLT. Here we present the abundances of O,Na,Mg,Si,Ca,Ti and Fe. By comparing the iron abundances [Fe/H] with calcium triplet (CaT) metallicities we show that the empirical CaT technique yields good agreement with the high-resolution data for [Fe/H]>-2 dex, but tends to deviate at lower metallicities. We identify two metal poor stars with iron abundances of -2.72 and -2.50 dex. These stars are found to have enhanced [alpha/Fe] ratios similar to those of stars in the Milky Way halo. However, the bulk of the Carina red giants are depleted in the [alpha/Fe] abundance ratios with respect to the Galactic halo at a given metallicity. One of our targets, with a [Fe/H] of -1.5 dex, is considerably depleted in almost all of the alpha-elements by ~0.5 dex compared to the solar values. Such a low [alpha/Fe] can be produced by stochastical fluctuations in terms of an incomplete mixing of single Type Ia and II SNe events into the ISM. Our derived element ratios are consistent with the episodic and extended SF in Carina known from its color-magnitude diagram. We find a considerable star-to-star scatter in the abundance ratios. This suggests that Carina's SF history varies with position within the galaxy, with incomplete mixing. Alternatively, the SF rate is so low that the high-mass stellar IMF is sparsely populated, as statistically expected in low-mass star clusters, leading to real scatter in the resultant mass-integrated yields. Both ideas are consistent with slow stochastic SF in dissolving associations, so that one may not speak of a single SF history at a detailed level (Abridged).
0802.2104v1
2008-03-04
A large population of recently-quenched red-sequence dwarf galaxies in the outskirts of the Coma Cluster
We analyse the stellar populations of 75 red-sequence dwarf galaxies in the Coma cluster, based on high signal-to-noise spectroscopy from the 6.5m MMT. The sample covers a luminosity range 3-4 magnitudes below M*, in the cluster core and in a field centred 1 deg to the south-west. We find a strong dependence of the absorption line strengths with location in the cluster. Galaxies further from the cluster centre have stronger Balmer lines than inner-field galaxies of the same luminosity. The magnesium lines are weaker at large radius, while the iron lines are not correlated with radius. Converting the line strengths into estimates of stellar age, metallicity and abundance ratios, we find the gradients are driven by variations in age (>6 sigma significance) and in the iron abundance Fe/H (~2.7 sigma significance). The light element (Mg, C, N, Ca) abundances are almost independent of radius. At radius of 0.4-1.3 degree (~0.3-1.0x the virial radius), dwarf galaxies have ages ~3.8 Gyr on average, compared to ~6 Gyr near the cluster centre. The outer dwarfs are also ~50% more iron-enriched, at given luminosity. Our results confirm earlier indications that the ages of red-sequence galaxies depend on location within clusters, and in Coma in particular. The exceptionally strong trends found here suggest that dwarf galaxies are especially susceptible to environmental "quenching", and/or that the south-west part of Coma is a particularly clear example of recent quenching in an infalling subcluster.
0803.0327v1
2008-09-01
Abundance profiles in cooling-core clusters: a fossil record of past AGN-driven convection?
Central peaks in the iron abundance of intracluster plasma are a common feature of cooling-core galaxy clusters. These abundance peaks have a much broader profile than the stars of the central brightest cluster galaxy (BCG), which produce the excess iron, indicating that metal-enriched plasma is transported out of the BCG by some process such as turbulent diffusion. At the same time, cooling-core clusters are likely heated by central active galactic nuclei (AGNs) by means of jets, cosmic-ray bubbles, and convection. The recent AGN-driven convection model of Chandran&Rasera predicts the turbulent velocity profile in a steady-state cluster in which radiative cooling is balanced by heating from a combination of AGN-driven convection and thermal conduction. We use the velocity profiles as input into an advection/diffusion model for the transport of metals in the intracluster medium, taking the iron to be injected by the BCG. We compare the results of our model to XMM and Chandra observations of eight clusters. Assuming a constant turbulence level over a cluster's lifetime, the turbulent velocities in the model can explain the observed abundance profiles in only five of the eight clusters. However, we go on to develop an analytic fit of the turbulent velocity profile as a function of the AGN power. We then deduce for each cluster the average AGN power (during the past 10 Gyr) required to match the abundance profiles. The required average values are between 10^43 and 2.10^44 erg/s, while the present AGN powers span a much larger range from 6.10^41 (Virgo) to 2.10^44 erg/s (Hydra A). Our results suggest that AGN-driven convection can account for the observed abundance profiles if the AGN power varies over a cluster's lifetime between Virgo-like and Hydra-A-like values, with average values in the above-quoted range.
0809.0238v1
2008-11-04
Influence of the rare-earth element on the effects of the structural and magnetic phase transitions in CeFeAsO, PrFeAsO, and NdFeAsO
We present results of transport and magnetic properties and heat capacity measurements on polycrystalline CeFeAsO, PrFeAsO, and NdFeAsO. These materials undergo structural phase transitions, spin density wave-like magnetic ordering of small moments on iron, and antiferromagnetic ordering of rare earth moments. The temperature dependence of the electrical resistivity, Seebeck coefficient, thermal conductivity, Hall coefficient, and magnetoresistance are reported. The magnetic behavior of the materials have been investigated using Mossbauer spectroscopy and magnetization measurements. Transport and magnetic properties are affected strongly by the structural and magnetic transitions, suggesting significant changes in the band structure and/or carrier mobilities occur, and phonon-phonon scattering is reduced upon transformation to the low temperature structure. Results are compared to recent reports for LaFeAsO, and systematic variations in properties as the identity of Ln is changed are observed and discussed. As Ln progresses across the rare-earth series from La to Nd, an increase in the hole contributions to Seebeck coefficient, and increases in magnetoresistance and the Hall coefficient are observed in the low temperature phase. Analysis of hyperfine fields at the iron nuclei determined from Mossbauer spectra indicates that the moment on Fe in the orthorhombic phase is nearly independent of the identity of Ln, in apparent contrast to reports of powder neutron diffraction refinements.
0811.0589v3
2009-01-29
A Galaxy Merger Scenario for the NGC 1550 Galaxy from Metal Distributions in the X-ray Emitting Plasma
The elliptical galaxy NGC 1550 at a redshift of $z=0.01239$, identified with an extended X-ray source RX J0419+0225, was observed with {\it XMM-Newton} for 31 ks. From the X-ray data and archival near infra-red data of Two Micron All Sky survay, we derive the profiles of components constituting the NGC 1550 system; the gas mass, total mass, metal mass, and galaxy luminosity. The metals (oxygen, silicon, and iron) are extended to $\sim 200$ kpc from the center, wherein $\sim$ 70% of the $K$-band luminosity is carried by NGC 1550 itself. As first revealed with {\it ASCA}, the data reconfirms the presence of a dark halo, of which the mass ($1.6 \times 10^{13} M_{\odot}$) is typical of a galaxy group rather than of a single galaxy. Within 210 kpc, the $K$-band mass-to-light ratio reaches $75 M_{\odot}/L_{\odot}$, which is comparable to those of clusters of galaxies. The iron-mass-to-light ratio profile (silicon- and oxygen mass-to-light ratio profiles as well) exhibits about two orders of magnitude decrease toward the center. Further studies comparing mass densities of metals with those of the other cluster components reveal that the iron (as well as silicon) in the ICM traces very well the total gravitating mass, whereas the stellar component is significantly more concentrated to within several tens kpc of the NGC 1550 nucleus. Thus, in the central region, the amount of metals is significantly depleted for the luminous galaxy light. Among a few possible explanations of this effect, the most likely scenario is that galaxies in this system were initially much more extended than today, and gradually fell to the center and merged into NGC 1550.
0901.4626v1
2009-02-02
Type-Ia Supernova-driven Galactic Bulge Wind
Stellar feedback in galactic bulges plays an essential role in shaping the evolution of galaxies. To quantify this role and facilitate comparisons with X-ray observations, we conduct 3D hydrodynamical simulations with the adaptive mesh refinement code, FLASH, to investigate the physical properties of hot gas inside a galactic bulge, similar to that of our Galaxy or M31. We assume that the dynamical and thermal properties of the hot gas are dominated by mechanical energy input from SNe, primarily Type Ia, and mass injection from evolved stars as well as iron enrichment from SNe. We study the bulge-wide outflow as well as the SN heating on scales down to ~4 pc. An embedding scheme that is devised to plant individual SNR seeds, allows to examine, for the first time, the effect of sporadic SNe on the density, temperature, and iron ejecta distribution of the hot gas as well as the resultant X-ray morphology and spectrum. We find that the SNe produce a bulge wind with highly filamentary density structures and patchy ejecta. Compared with a 1D spherical wind model, the non-uniformity of simulated gas density, temperature, and metallicity substantially alters the spectral shape and increases the diffuse X-ray luminosity. The differential emission measure as a function of temperature of the simulated gas exhibits a log-normal distribution, with a peak value much lower than that of the corresponding 1D model. The bulk of the X-ray emission comes from the relatively low temperature and low abundance gas shells associated with SN blastwaves. SN ejecta are not well mixed with the ambient medium, at least in the bulge region. These results, at least partly, account for the apparent lack of evidence for iron enrichment in the soft X-ray-emitting gas in galactic bulges and intermediate-mass elliptical galaxies.[...]
0902.0386v1
2009-02-10
A Study of the Accuracy of Mass-Radius Relationships for Silicate-Rich and Ice-Rich Planets up to 100 Earth Masses
A mass-radius relationship is proposed for solid planets and solid cores ranging from 1 to 100 Earth-mass planets. It relies on the assumption that solid spheres are composed of iron and silicates, around which a variable amount of water is added. The M-R law has been set up assuming that the planetary composition is similar to the averaged composition for silicates and iron obtained from the major elements ratio of 94 stars hosting exoplanets. Except on Earth for which a tremendous amount of data is available, the composition of silicate mantles and metallic cores cannot be constrained. Similarly, thermal profiles are poorly known. In this work, the effect of compositional parameters and thermal profiles on radii estimates is quantified. It will be demonstrated that uncertainties related to composition and temperature are of second order compared to the effect of the water amount. The Super-Earths family includes four classes of planets: iron-rich, silicate-rich, water-rich, or with a thick atmosphere. For a given mass, the planetary radius increases significantly from the ironrich to the atmospheric-rich planet. Even if some overlaps are likely, M-R measurements could be accurate enough to ascertain the discovery of an earth-like planet .The present work describes how the amount of water can be assessed from M-R measurements. Such an estimate depends on several assumptions including i) the accuracy of the internal structure model and ii) the accuracy of mass and radius measurements. It is shown that if the mass and the radius are perfectly known, the standard deviation on the amount of water is about 4.5 %. This value increases rapidly with the radius uncertainty but does not strongly depend on the mass uncertainty.
0902.1640v1
2009-02-20
Frustrated Magnetic Interactions, Giant Magneto-Elastic Coupling, and Magnetic Phonons in Iron-Pnictides
We present a detailed first principles study of Fe-pnictides with particular emphasis on competing magnetic interactions, structural phase transition, giant magneto-elastic coupling and its effect on phonons. The exchange interactions $J_{i,j}(R)$ are calculated up to $\approx 12 $\AA $. We find that $J_{i,j}(R)$ has an oscillatory character with an envelop decaying as $1/R^3$ along the stripe-direction while it is very short range along the diagonal direction and antiferromagnetic. A brief discussion of the neutron scattering determination of these exchange constants from a single crystal sample with orthorhombic twinning is given. The lattice parameter dependence of the exchange constants, $dJ_{i,j}/da$ are calculated for a simple spin-Peierls like model to explain the fine details of the tetragonal-orthorhombic phase transition. We then discuss giant magneto-elastic effects in these systems. We show that when the Fe-spin is turned off the optimized c-values are shorter than experimetnal values by 1.4 \AA $ $ for CaFe$_2$As$_2$, by 0.4 \AA $ $ for BaFe$_2$As$_2$, and by 0.13 \AA $ $ for LaOFeAs. Finally, we show that Fe-spin is also required to obtain the right phonon energies, in particular As c-polarized and Fe-Fe in-plane modes. Since treating iron as magnetic ion always gives much better results than non-magnetic ones and since there is no large c-axis reduction during the normal to superconducting phase transition, the iron magnetic moment should be present in Fe-pnictides at all times. We discuss the implications of our results on the mechanism of superconductivity in these fascinating Fe-pnictide systems.
0902.3462v1
2009-03-20
Spectral Analysis of the Accretion Flow in NGC 1052 with Suzaku
We present an analysis of the 101 ks, 2007 Suzaku spectrum of the LINER galaxy NGC 1052. The 0.5-10 keV continuum is well-modeled by a power-law modified by Galactic and intrinsic absorption, and it exhibits a soft, thermal emission component below 1 keV. Both a narrow core and a broader component of Fe K emission centered at 6.4 keV are robustly detected. While the narrow line is consistent with an origin in material distant from the black hole, the broad line is best fit empirically by a model that describes fluorescent emission from the inner accretion disk around a rapidly rotating black hole. We find no evidence in this observation for Comptonized reflection of the hard X-ray source by the disk above 10 keV, however, which casts doubt on the hypothesis that the broad iron line originates in the inner regions of a standard accretion disk. We explore other possible scenarios for producing this spectral feature and conclude that the high equivalent width (EW ~ 185 keV) and full-width-half-maximum velocity of the broad iron line (v ~ 0.37c) necessitate an origin within d ~ 8 gravitational radii of the hard X-ray source. Based on the confirmed presence of a strong radio jet in this galaxy nucleus, the broad iron line may be produced in dense plasma near the base of the jet, implying that emission mechanisms in the centralmost portions of active galactic nuclei are more complex than previously thought.
0903.3583v1
2009-04-06
New insight into the physics of iron pnictides from optical and penetration depth data
We report theoretical values for the unscreened plasma frequencies Omega_p of several Fe pnictides obtained from DFT based calculations within the LDA and compare them with experimental plasma frequencies obtained from reflectivity data. The sizable renormalization observed for all considered compounds points to the presence of many-body effects beyond the LDA. From the large empirical background dielectric constant of about 12-15, we estimate a large arsenic polarizability of about 9.5 +- 1.2 Angstroem^3 where the details depend on the polarizabilities of the remaining ions taken from the literature. This large polarizability can significantly reduce the value of the Coulomb repulsion U_d about 4 eV on iron known from iron oxides to a level of 2 eV or below. In general, this result points to rather strong polaronic effects as suggested by G.A. Sawatzky et al., in Refs. arXiv:0808.1390 and arXiv:0811.0214 (Berciu et al.). Possible consequences for the conditions of a formation of bipolarons are discussed, too. From the extrapolated muon spin rotation penetration depth data at T= 0 and the experimental Omega_p we estimate the total coupling constant lambda_tot for the el-boson interaction within the Eliashberg-theory adopting a single band approximation. For LaFeAsO_0.9F_0.1 a weak to intermediately strong coupling regime and a quasi-clean limit behaviour are found. For a pronounced multiband case we obtain a constraint for various intraband coupling constants which in principle allows for a sizable strong coupling in bands with either slow electrons or holes.
0904.0827v1
2009-04-07
Search for associations containing young stars (SACY):II. Chemical abundances of stars in 11 young Associations in the Solar neighborhood
The recently discovered coeval, moving groups of young stellar objects in the solar neighborhood represent invaluable laboratories to study recent star formation and to search for high metallicity stars which can be included in future exo-planet surveys. In this study we derived through an uniform and homogeneous method stellar atmospheric parameters and abundances for iron, silicium and nickel in 63 Post T-Tauri Stars from 11 nearby young associations. We further compare the results with two different pre-main sequence (PMS) and main sequence (MS) star populations. The stellar atmospheric parameters and the abundances presented here were derived using the equivalent width of individual lines in the stellar spectra through the excitation/ionization equilibrium of iron. Moreover, we compared the observed Balmer lines with synthetic profiles calculated for model atmospheres with a different line formation code. We found that the synthetic profiles agree reasonably well with the observed profiles, although the Balmer lines of many stars are substantially filled-in, probably by chromospheric emission. Solar metallicity is found to be a common trend on all the nearby young associations studied. The low abundance dispersion within each association strengthens the idea that the origin of these nearby young associations is related to the nearby Star Forming regions (SFR). Abundances of elements other than iron are consistent with previous results on Main Sequence stars in the solar neighborhood. The chemical characterization of the members of the newly found nearby young associations, performed in this study and intended to proceed in subsequent works, is essential for understanding and testing the context of local star formation and the evolutionary history of the galaxy.
0904.1221v1
2009-06-17
On the metallicity gradient of the Galactic disk
Aims: The iron abundance gradient in the Galactic stellar disk provides fundamental constraints on the chemical evolution of this important Galaxy component. However the spread around the mean slope is, at fixed Galactocentric distance, larger than estimated uncertainties. Methods: To provide quantitative constraints on these trends we adopted iron abundances for 265 classical Cepheids (more than 50% of the currently known sample) based either on high-resolution spectra or on photometric metallicity indices. Homogeneous distances were estimated using near-infrared Period-Luminosity relations. The sample covers the four disk quadrants and their Galactocentric distances range from ~5 to ~17 kpc. Results: A linear regression over the entire sample provides an iron gradient of -0.051+/-0.004 dex/kpc. The above slope agrees quite well, within the errors, with previous estimates based either on Cepheids or on open clusters covering similar Galactocentric distances. However, once we split the sample in inner (Rg < 8 kpc) and outer disk Cepheids we found that the slope (-0.130+/-0.015 dex/kpc) in the former region is ~3 times steeper than the slope in the latter one (-0.042+/-0.004 dex/kpc). We found that in the outer disk the radial distribution of metal-poor (MP, [Fe/H]<-0.02 dex) and metal-rich (MR) Cepheids across the four disk quadrants does not show a clear trend when moving from the innermost to the external disk regions. We also found that the relative fractions of MP and MR Cepheids in the 1st and in the 3rd quadrant differ at 8 sigma (MP) and 15 sigma (MR) level.
0906.3140v1
2009-10-09
Critical change in the Fermi surface of iron arsenic superconductors at the onset of superconductivity
The phase diagram of a correlated material is the result of a complex interplay between several degrees of freedom, providing a map of the material's behavior. One can understand (and ultimately control) the material's ground state by associating features and regions of the phase diagram, with specific physical events or underlying quantum mechanical properties. The phase diagram of the newly discovered iron arsenic high temperature superconductors is particularly rich and interesting. In the AE(Fe1-xTx)2As2 class (AE being Ca, Sr, Ba, T being transition metals), the simultaneous structural/magnetic phase transition that occurs at elevated temperature in the undoped material, splits and is suppressed by carrier doping, the suppression being complete around optimal doping. A dome of superconductivity exists with apparent equal ease in the orthorhombic / antiferromagnetic (AFM) state as well as in the tetragonal state with no long range magnetic order. The question then is what determines the critical doping at which superconductivity emerges, if the AFM order is fully suppressed only at higher doping values. Here we report evidence from angle resolved photoemission spectroscopy (ARPES) that critical changes in the Fermi surface (FS) occur at the doping level that marks the onset of superconductivity. The presence of the AFM order leads to a reconstruction of the electronic structure, most significantly the appearance of the small hole pockets at the Fermi level. These hole pockets vanish, i. e. undergo a Lifshitz transition, at the onset of superconductivity. Superconductivity and magnetism are competing states in the iron arsenic superconductors. In the presence of the hole pockets superconductivity is fully suppressed, while in their absence the two states can coexist.
0910.1799v2
2009-11-06
Accurate Fundamental Parameters or A, F, and G-type Supergiants in the Solar Neighbourhood
The following parameters are determined for 63 Galactic supergiants in the solar neighbourhood: effective temperature Teff, surface gravity log g, iron abundance log e(Fe), microturbulent parameter Vt, mass M/Msun, age t and distance d. A significant improvement in the accuracy of the determination of log g and, all parameters dependent on it, is obtained through application of van Leeuwens (2007) re-reduction of the Hipparcos parallaxes. The typical error in the log g values is now +-0.06 dex for supergiants with distances d < 300 pc and +-0.12 dex for supergiants with d between 300 and 700 pc; the mean error in Teff for these stars is +-120 K. For supergiants with d > 700 pc parallaxes are uncertain or unmeasurable, so typical errors in their log g values are 0.2-0.3 dex. A new Teff scale for A5-G5 stars of luminosity classes Ib-II is presented. Spectral subtypes and luminosity classes of several stars are corrected. Combining the Teff and log g with evolutionary tracks, stellar masses and ages are determined; a majority of the sample has masses between 4 Msun and 15 Msun and, hence, their progenitors were early to middle B-type main sequence stars. Using Fe ii lines, which are insensitive to departures from LTE, the microturbulent parameter Vt and the iron abundance log e(Fe) are determined from high-resolution spectra. The parameter Vt is correlated with gravity: Vt increases with decreasing log g. The mean iron abundance for the 48 supergiants with distances d < 700 pc is log e(Fe)=7.48+-0.09, a value close to the solar value of 7.45+-0.05, and thus the local supergiants and the Sun have the same metallicity.
0911.1335v2
2009-12-09
Empirically Derived Integrated Stellar Yields of Fe-Peak Elements
We present here the initial results of a new study of massive star yields of Fe-peak elements. We have compiled from the literature a database of carefully determined solar neighborhood stellar abundances of seven iron-peak elements, Ti, V, Cr, Mn, Fe, Co, and Ni and then plotted [X/Fe] versus [Fe/H] to study the trends as functions of metallicity. Chemical evolution models were then employed to force a fit to the observed trends by adjusting the input massive star metallicity-sensitive yields of Kobayashi et al. Our results suggest that yields of Ti, V, and Co are generally larger as well as anticorrelated with metallicity, in contrast to the Kobayashi et al. predictions. We also find the yields of Cr and Mn to be generally smaller and directly correlated with metallicity compared to the theoretical results. Our results for Ni are consistent with theory, although our model suggests that all Ni yields should be scaled up slightly. The outcome of this exercise is the computation of a set of integrated yields, i.e., stellar yields weighted by a slightly flattened time-independent Salpeter initial mass function and integrated over stellar mass, for each of the above elements at several metallicity points spanned by the broad range of observations. These results are designed to be used as empirical constraints on future iron-peak yield predictions by stellar evolution modelers. Special attention is paid to the interesting behavior of [Cr/Co] with metallicity -- these two elements have opposite slopes -- as well as the indirect correlation of [Ti/Fe] with [Fe/H]. These particular trends, as well as those exhibited by the inferred integrated yields of all iron-peak elements with metallicity, are discussed in terms of both supernova nucleosynthesis and atomic physics.
0912.1816v1
2010-01-03
Suzaku Monitoring of the Iron K Emission Line in the Type 1 AGN NGC 5548
We present 7 sequential weekly observations of NGC 5548 conducted in 2007 with the \textit{Suzaku} X-ray Imaging Spectrometer (XIS) in the 0.2-12 keV band and Hard X-ray Detector (HXD) in 10-600 keV band. The iron K$\alpha$ line is well detected in all seven observations and K$\beta$ line is also detected in four observations. In this paper, we investigate the origin of the Fe K lines using both the width of the line and the reverberation mapping method. With the co-added XIS and HXD spectra, we identify Fe K$\alpha$ and K$\beta$ line at 6.396$_{-0.007}^{+0.009}$ keV and 7.08$_{-0.05}^{+0.05}$ keV, respectively. The width of line obtained from the co-added spectra is 38$_{-18}^{+16}$ eV ($\textrm{FWHM}=4200_{-2000}^{+1800}$ km/s) which corresponds to a radius of 20$_{-10}^{+50}$ light days, for the virial production of $1.220\times10^7$ M$_{\odot}$ in NCG 5548. To quantitatively investigate the origin of the narrow Fe line by the reverberation mapping method, we compare the observed light curves of Fe K$\alpha$ line with the predicted ones, which are obtained by convolving the continuum light curve with the transfer functions in a thin shell and an inclined disk. The best-fit result is given by the disk case with $i=30^\circ$ which is better than a fit to a constant flux of the Fe K line at the 92.7% level (F-test). We find that the emitting radius obtained from the light curve is 25-37 light days, which is consistent with the radius derived from the Fe K line width. Combining the results of the line width and variation, the most likely site for the origin of the narrow iron lines is 20-40 light days away from the central engine, though other possibilities are not completely ruled out. (abridged)
1001.0356v1
2010-01-07
Supernova 2007bi as a pair-instability explosion
Stars with initial masses 10 M_{solar} < M_{initial} < 100 M_{solar} fuse progressively heavier elements in their centres, up to inert iron. The core then gravitationally collapses to a neutron star or a black hole, leading to an explosion -- an iron-core-collapse supernova (SN). In contrast, extremely massive stars (M_{initial} > 140 M_{solar}), if such exist, have oxygen cores which exceed M_{core} = 50 M_{solar}. There, high temperatures are reached at relatively low densities. Conversion of energetic, pressure-supporting photons into electron-positron pairs occurs prior to oxygen ignition, and leads to a violent contraction that triggers a catastrophic nuclear explosion. Tremendous energies (>~ 10^{52} erg) are released, completely unbinding the star in a pair-instability SN (PISN), with no compact remnant. Transitional objects with 100 M_{solar} < M_{initial} < 140 M_{solar}, which end up as iron-core-collapse supernovae following violent mass ejections, perhaps due to short instances of the pair instability, may have been identified. However, genuine PISNe, perhaps common in the early Universe, have not been observed to date. Here, we present our discovery of SN 2007bi, a luminous, slowly evolving supernova located within a dwarf galaxy (~1% the size of the Milky Way). We measure the exploding core mass to be likely ~100 M_{solar}, in which case theory unambiguously predicts a PISN outcome. We show that >3 M_{solar} of radioactive 56Ni were synthesized, and that our observations are well fit by PISN models. A PISN explosion in the local Universe indicates that nearby dwarf galaxies probably host extremely massive stars, above the apparent Galactic limit, perhaps resulting from star formation processes similar to those that created the first stars in the Universe.
1001.1156v1
2010-03-29
Ferromagnetism in defect-ridden oxides and related materials
The existence of high-temperature ferromagnetism in thin films and nanoparticles of oxides containing small quantities of magnetic dopants remains controversial. Some regard these materials as dilute magnetic semiconductors, while others think they are ferromagnetic only because the magnetic dopants form secondary ferromagnetic impurity phases such as cobalt metal or magnetite. There are also reports in d0 systems and other defective oxides that contain no magnetic ions. Here, we investigate TiO2 (rutile) containing 1 - 5% of iron cations and find that the room-temperature ferromagnetism of films prepared by pulsed-laser deposition is not due to magnetic ordering of the iron. The films are neither dilute magnetic semiconductors nor hosts to an iron-based ferromagnetic impurity phase. A new model is developed for defect-related ferromagnetism which involves a spin-split defect band populated by charge transfer from a proximate charge reservoir in the present case a mixture Fe2+ and Fe3+ ions in the oxide lattice. The phase diagram for the model shows how inhomogeneous Stoner ferromagnetism depends on the total number of electrons Ntot, the Stoner exchange integral I and the defect bandwidth W; the band occupancy is governed by the d-d Coulomb interaction U. There are regions of ferromagnetic metal, half-metal and insulator as well as nonmagnetic metal and insulator. A characteristic feature of the high-temperature Stoner magnetism is an an anhysteretic magnetization curve which is practically temperature independent below room temperature. This is related to a wandering ferromagnetic axis which is determined by local dipole fields. The magnetization is limited by the defect concentration, not by the 3d doping. Only 1-2 % of the volume of the films is magnetically ordered.
1003.5558v1