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2006-01-30
Iron self-diffusion in FeZr/$^{57}$FeZr multilayers measured by neutron reflectometry: Effect of applied compressive stress
Iron self-diffusion in nano-composite FeZr alloy has been investigated using neutron reflectometry technique as a function of applied compressive stress. A composite target of (Fe+Zr) and (57Fe+Zr) was alternatively sputtered to deposit chemically homogeneous multilayer (CHM) structure, [Fe75Zr25/57Fe75Zr25]10. The mul...
0601646v1
2007-01-12
Iron melting curve with a tricritical point
Solidification as a first order phase transition is described in the Landau theory by the same equation as tricritical phenomena. Here, the solidification or melting temperature against pressure curve is modelled to end at a tricritical point. The model gives the phase transition temperature's dependence on pressure up...
0701283v1
2004-09-21
The axial ratio of hcp iron at the conditions of the Earth's inner core
We present ab initio calculations of the high-temperature axial c/a ratio of hexagonal-close-packed (hcp) iron at Earth's core pressures, in order to help interpret the observed seismic anisotropy of the inner core. The calculations are based on density functional theory, which is known to predict the properties of hig...
0409109v1
2007-10-29
Muon content of ultra-high-energy air showers: Yakutsk data versus simulations
We analyse a sample of 33 extensive air showers (EAS) with estimated primary energies above 2\cdot 10^{19} eV and high-quality muon data recorded by the Yakutsk EAS array. We compare, event-by-event, the observed muon density to that expected from CORSIKA simulations for primary protons and iron, using SIBYLL and EPOS ...
0710.5508v2
2007-11-03
Inner-shell Annihilation of Positrons in Argon, Iron and Copper Atoms
The annihilation parameters of positrons with electrons in different shells of Argon, Iron and Copper atoms are calculated below the positronium (Ps) formation thresholds. Quite accurate ab initio calculations of the bound state wavefunctions of Argon, Iron and Copper orbitals are obtained from Cowan computer code. A l...
0711.0453v1
2008-04-06
Carbon nanotube-sharp tips and carbon nanotube-soldering irons
We report on the nano-electron beam assisted fabrication of atomically sharp iron-based tips and on the creation of a nano-soldering iron for nano-interconnects using Fe-filled multiwalled carbon nanotubes (MWCNTs). High energy electron beam machining has been proven a powerful tool to modify desired nanostructures for...
0804.0929v1
2008-05-06
Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
A new class of high temperature superconductors based on iron and arsenic was recently discovered, with superconducting transition temperature as high as 55 K. Here we show, using microscopic theory, that the normal state of the iron pnictides at high temperatures is highly anomalous, displaying a Curie Weiss susceptib...
0805.0722v2
2008-05-27
Spin density wave anomaly at 140 K in the ternary iron arsenide BaFe2As2
The ternary iron arsenide BaFe2As2 with the tetragonal ThCr2Si2-type structure exhibits a spin density wave (SDW) anomaly at 140 K, very similar to LaFeAsO, the parent compound of the iron arsenide superconductors. BaFe2As2 is a poor Pauli-paramagnetic metal and undergoes a structural and magnetic phase transition at 1...
0805.4021v2
2008-05-29
Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2
The ternary iron arsenide BaFe2As2 becomes superconducting by hole doping, which was achieved by partial substitution of the barium site with potassium. We have discovered bulk superconductivity up to Tc = 38 K in (Ba1-xKx)Fe2As2 with x = 0.4. The parent compound BaFe2As2 as well as KFe2As2 both crystallize in the tetr...
0805.4630v2
2008-06-04
Parton distribution function uncertainties & nuclear corrections for the LHC
We study nuclear effects of charged current deep inelastic neutrino-iron scattering in the framework of a chi^2 analysis of parton distribution functions (PDFs). We extract a set of iron PDFs which are used to compute x_Bj-dependent and Q^2-dependent nuclear correction factors for iron structure functions which are req...
0806.0723v1
2008-08-06
Kondo Effect and Spin Glass Behavior of Dilute Iron Clusters in Silver Studied by Mössbauer Spectroscopy and Resistivity
Thin films of silver containing 0.3 - 1.5 at % Fe have been prepared by vapor co-deposition. Depending on substrate temperature and iron concentration we could systematically follow the formation of nanometer size clusters of iron from initially dilute iron monomers. samples were characterized via X-ray diffraction, re...
0808.0929v1
2008-08-19
Telescopes versus Microscopes: the puzzle of Iron-60
The discovery that the short-lived radionucleide iron-60 was present in the oldest meteorites suggests that the formation of the Earth closely followed the death of a massive star. I discuss three astrophysical origins: winds from an AGB star, injection of supernova ejecta into circumstellar disks, and induced star for...
0808.2506v1
2008-09-30
Effect of the tetrahedral distortion on the electronic properties of iron-pnictides
We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the density of states and the band structure are sensitive to the distortion of the te...
0810.0019v2
2008-10-13
Synthesis, crystal structure and spin-density-wave anomaly of the iron arsenide-fluoride SrFeAsF
The new quaternary iron arsenide-fluoride SrFeAsF with the tetragonal ZrCuSiAs-type structure was synthesized and the crystal structure was determined by X-ray powder diffraction (P4/nmm, a = 399.30(1), c = 895.46(1) pm). SrFeAsF undergoes a structural and magnetic phase transition at 175 K, accompanied by strong anoma...
0810.2120v1
2008-11-22
A simple theory of the Invar effect in iron-nickel alloys
Certain alloys of iron and nickel (so-called 'Invar' alloys) exhibit almost no thermal expansion over a wide range of temperature. It is clear that this is the result of an anomalous contraction upon heating which counteracts the normal thermal expansion arising from the anharmonicity of lattice vibrations. This anomal...
0811.3673v1
2008-12-17
Nuclear Parton Distribution Functions
We study nuclear effects of charged current deep inelastic neutrino-iron scattering in the framework of a chi^2 analysis of parton distribution functions (PDFs). We extract a set of iron PDFs which are used to compute x_Bj-dependent and Q^2-dependent nuclear correction factors for iron structure functions which are req...
0812.3370v1
2008-12-26
Normal State Spin Dynamics of Five-band Model for Iron-pnictides
Normal state spin dynamics of the recently discovered iron-pnictide superconductors is discussed by calculating spin structure factor S(q, omega) in an itinerant five-band model within RPA approximation. Due to the characteristic Fermi surface structure of iron-pnictide, column like response is found at (pi, 0) in exte...
0812.4664v1
2009-05-11
Antiferromagnetically Driven Electronic Correlation in Iron Pnictides and Cuprates
The iron pnictides and the cuprates represent two families of materials, where strong antiferromagnetic correlation drives three other distinct ordering tendencies: (1) superconducting pairing, (2) Fermi surface distortion, and (3) orbital current order. We propose that (1)-(3) and the antiferromagnetic correlation are...
0905.1711v2
2009-06-30
New extended atomic data in cool star model atmospheres - Using Kurucz's new iron data in MAFAGS-OS models
Context. Cool star model atmospheres are a common tool for the investigation of stellar masses, ages and elemental abundance composition. Theoretical atmospheric models strongly depend on the atomic data used when calculating them. Aims. We present the changes in flux and temperature stratification when changing from i...
0906.5449v1
2009-07-04
Angle-Resolved Photoemission Spectroscopy of Iron-Chalcogenide Superconductor Fe1.03Te0.7Se0.3 : Strong-Coupling Superconductivity and Universality of Inter-Band Scattering
We have performed high-resolution angle-resolved photoemission spectroscopy of iron-chalcogenide superconductor Fe1.03Te0.7Se0.3 (Tc = 13 K) to investigate the electronic structure relevant to superconductivity. We observed a hole- and an electron-like Fermi surfaces at the Brillouin zone center and corner, respectivel...
0907.0763v1
2009-08-19
Sr$_2$VO$_3$FeAs: A Nanolayered Bimetallic Iron Pnictide Superconductor
One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested. Using the density functional methods that have predicted Fermi surfaces correctly i...
0908.2698v3
2009-09-02
Electronic correlations in the iron pnictides
In correlated metals derived from Mott insulators, the motion of an electron is impeded by Coulomb repulsion due to other electrons. This phenomenon causes a substantial reduction in the electron's kinetic energy leading to remarkable experimental manifestations in optical spectroscopy. The high-Tc superconducting cupr...
0909.0312v1
2009-10-05
Universal magnetic and structural behaviors in the iron arsenides
Commonalities among the order parameters of the ubiquitous antiferromagnetism present in the parent compounds of the iron arsenide high temperature superconductors are explored. Additionally, comparison is made between the well established two-dimensional Heisenberg-Ising magnet, K$_2$NiF$_4$ and iron arsenide systems ...
0910.0489v1
2009-10-12
Orbital selective local moment formation in iron: first principle route to an effective model
We revisit a problem of theoretical description of alpha-iron. By performing LDA+DMFT calculations in the paramagnetic phase we find that Coulomb interaction and, in particular Hund exchange, yields the formation of local moments in e_g electron band, which can be traced from imaginary time dependence of the spin-spin ...
0910.2161v1
2009-12-01
A common magnetic origin for the Invar effects in fcc iron-based ferromagnets
Using first-principles calculations, in conjunction with Ising magnetism, we undertake a theoretical study to elucidate the origin of the experimentally observed Invar effects in disordered fcc iron-based ferromagnets. First, we show that our theory can account for the Invar effects in iron-nickel alloys, the anomalies...
0912.0215v4
2009-12-29
London penetration depth and strong pair-breaking in iron-based superconductors
The low temperature variation of the London penetration depth for a number of iron-pnictide and iron-chalcogenide superconductors is nearly quadratic, $\Delta \lambda(T) = \beta T^n$ with $n\approx 2$. The coefficient in this dependence shows a robust scaling, $\beta \propto 1/T_c^3$ across different families of these ...
0912.5346v1
2010-01-08
Effect of time and storing conditions on iron forms in ferrous gluconate and Ascofer
Antianemic medicament Ascofer and ferrous gluconate, its basic iron bearing ingredient, were studied with the use of Mossbauer spectroscopy. Room temperature spectra gave a clear evidence that two phases of iron were present viz. ferrous (Fe2+) as a major one with a contribution of 85+-5%, and ferric (Fe3+) whose contr...
1001.1218v1
2010-02-08
Evidence for a full energy gap for nickel-pnictide LaNiAsO_{1-x}F_x superconductors by ^{75}As nuclear quadrupole resonance
We report systematic ^{75}As-NQR and ^{139}La-NMR studies on nickel-pnictide superconductors LaNiAsO_{1-x}F_x (x=0, 0.06, 0.10 and 0.12). The spin lattice relaxation rate 1/T_1 decreases below T_c with a well-defined coherence peak and follows an exponential decay at low temperatures. This result indicates that the sup...
1002.1506v1
2010-02-09
Iron line emission from X-ray pulsars: physical conditions and geometry of the system
We present here the preliminary results of the study of the fluorescent iron line emission from X-ray pulsars with Be companions. We propose to use properties of this emission to investigate the spatial distribution and physical conditions of the matter around the compact object as well as in the binary system as a who...
1002.1898v1
2010-02-12
Low magnetization and anisotropy in the antiferromagnetic state of undoped iron pnictides
We examine the magnetic phase diagram of iron pnictides using a five band model. For the intermediate values of the interaction expected to hold in the iron pnictides, we find a metallic low moment state characterized by antiparallel orbital magnetic moments. The anisotropy of the interorbital hopping amplitudes is the...
1002.2584v2
2010-04-06
Anion height dependence of Tc and density of states in iron based superconductors
Systematic ab initio LDA calculations were performed for all the typical representatives of recently discovered class of iron based high-temperature superconductors: REOFe(As,P) (RE=La,Ce,Nd,Sm,Tb), Ba2Fe2As, (Sr,Ca)FFeAs, Sr4Sc2O6Fe2P2, LiFeAs and Fe(Se,Te). Non-monotonic behavior of total density of states at the Fer...
1004.0801v1
2010-06-11
New Iron Arsenide Oxides (Fe2As2)(Sr4(Sc,Ti)3O8), (Fe2As2)(Ba4Sc3O7.5), and (Fe2As2)(Ba3Sc2O5)
We synthesized new layered iron arsenide oxides (Fe2As2)(Sr4(Sc,Ti)3O8),(Fe2As2)(Ba4Sc3O7.5), and (Fe2As2)(Ba3Sc2O5). The crystal structures of these compounds are tetragonal with a space group of I4/mmm. The structure of (Fe2As2)(Sr4(Sc,Ti)3O8) and (Fe2As2)(Ba4Sc3O7.5) consists of the alternate stacking of antifluorit...
1006.2353v1
2010-07-13
Phase transitions and iron-ordered moment form factor in LaFeAsO
Elastic neutron scattering studies of an optimized LaFeAsO single crystal reveal that upon cooling, an onset of the tetragonal (T)-to-orthorhombic (O) structural transition occurs at $T_\texttt{S} \approx 156$ K, and it exhibits a sharp transition at $T_\texttt{P} \approx 148$ K. We argue that in the temperature range ...
1007.2197v1
2010-08-10
Development of Powder-in-Tube Processed Iron Pnictide Wires and Tapes
The development of the PIT fabrication process of iron pnictide superconducting wires and tapes has been carried out in order to enhance their transport properties. Silver was found to be the best sheath material, since no reaction layer was observed between the silver sheath and the superconducting core. The grain con...
1008.1735v2
2010-08-10
Orbital Fluctuation Theory in Iron Pnictides: Effects of As-Fe-As Bond Angle, Isotope Substitution, and $Z^2$-Orbital Pocket on the Superconductivity
We study the pairing mechanism in iron pnictide superconductors based on the five-orbital Hubbard-Holstein model. Due to Fe-ion oscillations, the s-wave superconducting (SC) state without sign reversal (s_{++}-wave state) is induced by orbital fluctuations by using realistic model parameters. The virtue of the present ...
1008.1765v3
2010-09-20
Iron Depletion into Dust Grains in Galactic Planetary Nebulae
We present preliminary results of an analysis of the iron depletion factor into dust grains for a sample of 20 planetary nebulae (PNe) from the Galactic bulge. We compare these results with the ones we obtained in a prior analysis of 28 Galactic disk PNe and 8 Galactic H II regions. We derive high depletion factors in ...
1009.3945v1
2010-10-25
The melting curve of iron at extreme pressures: implications for planetary cores
Exoplanets with masses similar to that of Earth have recently been discovered in extrasolar systems. A first order question for understanding their dynamics is to know whether they possess Earth like liquid metallic cores. However, the iron melting curve is unknown at conditions corresponding to planets of several time...
1010.5133v1
2010-11-01
Quantitative magnetic force microscopy on permalloy dots using an iron filled carbon nanotube probe
We have characterized a new Magnetic Force Microscopy (MFM) probe based on an iron filled carbon nanotube (FeCNT) using MFM imaging on permalloy (Py) disks saturated in a high magnetic field perpendicular to the disk plane. The experimental data are accurately modeled by describing the FeCNT probe as having a single ma...
1011.0389v1
2010-11-29
Antiferromagnetic order in multi-band Hubbard models for iron-pnictides
We investigate multi-band Hubbard models for the three iron 3$d$-$t_{2g}$ bands and the two iron 3$d$-$e_g$ bands in ${\rm La O Fe As}$ by means of the Gutzwiller variational theory. Our analysis of the paramagnetic ground state shows that neither Hartree--Fock mean-field theories nor effective spin models describe the...
1011.6219v1
2010-12-13
Rigidity dependence of cosmic ray escape length in the Galaxy obtained from a comparison of proton and iron spectra in the range 3-3000 GV
The simple leaky-box model of propagation of cosmic rays in the Galaxy is quite suitable for handling data on cosmic ray nuclei energy spectra and composition at E ? 1 GeV [1,2]. In the leakybox model a full information about cosmic ray propagation in Galaxy is compressed to the single parameter - escape length, Xe, ch...
1012.2722v1
2010-12-30
Pressure-Driven Quantum Criticality in An Iron-Selenide Superconductor
The discovery of superconductivity of about 30 K in iron selenides with very large magnetic moments simulates the examination of completing orders. Here we report a finding of pressure- induced suppression of the superconducting transition temperature Tc and enhancement of the temperature of the resistance hump TH thro...
1101.0092v3
2011-01-05
Dust production and mass loss in the Galactic globular cluster 47 Tucanae
Dust production among post-main-sequence stars is investigated in the Galactic globular cluster 47 Tucanae (NGC 104) based on infrared photometry and spectroscopy. We identify metallic iron grains as the probable dominant opacity source in these winds. Typical evolutionary timescales of AGB stars suggest the mass-loss ...
1101.1096v1
2011-01-20
Spin-state crossover and hyperfine interactions of ferric iron in MgSiO$_3$ perovskite
Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral (A) and octahedral (B) site. As the pressure increases, the B-site iron undergoe...
1101.3819v2
2011-03-09
Interstitial iron tuning of the spin fluctuations in Fe1+xTe
Using neutron inelastic scattering, we investigate the low-energy spin fluctuations in Fe1+xTe as a function of both temperature and interstitial iron concentration. For Fe1.057(7)Te the magnetic structure is defined by a commensurate wavevector of (1/2,0,1/2). The spin fluctuations are gapped with a sharp onset at 7 m...
1103.1811v2
2011-03-18
First-principles Studies for the Hydrogen Doping Effects on Iron-based Superconductors
We study hydrogen doping effects in an iron-based superconductor LaFeAsO_(1-y) by using the first-principles calculation and explore the reason why the superconducting transition temperature is remarkably enhanced by the hydrogen doping. The present calculations reveal that a hydrogen cation stably locating close to an...
1103.3560v1
2011-04-18
Optimized Orthogonal Basis Tight Binding. Application to Iron
The formal link between the linear combination of atomic orbitals approach to density functional theory and two-center Slater-Koster tight-binding models is used to derive an orthogonal $d$-band tight-binding model for iron with only two fitting parameters. The resulting tight-binding model correctly predicts the energ...
1104.3598v1
2011-05-26
Iron abundance in the prototype PG1159 star, GW Vir pulsator PG1159-035, and related objects
We performed an iron abundance determination of the hot, hydrogen deficient post-AGB star PG1159-035, which is the prototype of the PG1159 spectral class and the GW Vir pulsators, and of two related objects (PG1520+525, PG1144+005), based on the first detection of Fe VIII lines in stellar photospheres. In another PG115...
1105.5276v1
2011-06-02
Ab-initio molecular dynamics simulation of hydrogen diffusion in $α$-iron
First-principles atomistic molecular dynamics simulation in the micro-canonical and canonical ensembles has been used to study the diffusion of interstitial hydrogen in $\alpha$-iron. Hydrogen to Iron ratios between $\theta=1/16 and 1/2 have been considered by locating interstitial hydrogen atoms at random positions in...
1106.0464v1
2011-07-11
Impairment of double exchange mechanism in electron transport of iron pnictides
Double exchange mechanism is believed to favor transport along ferromagnetic directions, the failure of which in explaining the unusual resistivity anisotropy in iron pnictides is investigated. Several factors intrinsic to the microscopic mechanism of transport in iron pnictides are identified and analyzed, including t...
1107.1952v1
2011-07-12
Revealing the dual nature of magnetism in iron pnictides and iron chalcogenides using x-ray emission spectroscopy
We report Fe K beta x-ray emission spectroscopy study of local magnetic moments in various iron based superconductors in their paramagnetic phases. Local magnetic moments are found in all samples studied: PrFeAsO, Ba(Fe,Co)2As2, LiFeAs, Fe1+x(Te,Se), and A2Fe4Se5 (A=K, Rb, and Cs). The moment size varies significantly ...
1107.2211v1
2011-08-13
Imaging the coexistence of superconductivity and a charge density modulation in K0.73Fe1.67Se2 superconductor
We report scanning tunneling microscopy studies of the local structural and electronic properties of the iron selenide superconductor K0.73Fe1.67Se2 with TC = 32K. On the atomically resolved FeSe surface, we observe well-defined superconducting gap and the microscopic coexistence of a charge density modulation with roo...
1108.2798v1
2011-10-03
Block Antiferromagnetism and Checkerboard Charge Ordering in Alkali-doped Iron Selenides $R$$_{1-x}$Fe$_{2-y}$Se$_2$
By performing first-principles electronic structure calculations and analyzing effective magnetic model of alkali-doped iron selenides, we show that the materials without iron vacancies should approach a novel checkerboard phase in which each four Fe sites group together in tetragonal structure. The checkerboard phase ...
1110.0372v1
2011-11-25
Growth and electronic and magnetic structure of iron oxide films on Pt(111)
Ultrathin (111)-oriented polar iron oxide films were grown on a Pt(111) single crystal either by the reactive deposition of iron or oxidation of metallic iron monolayers. These films were characterized using low energy electron diffraction, scanning tunneling microscopy and conversion electron Mossbauer spectroscopy. T...
1111.5938v2
2011-12-07
Relativistic iron K X-ray Reverberation in NGC 4151
Recent X-ray observations have enabled the study of reverberation delays in AGN for the first time. All the detections so far are in sources with a strong soft excess, and the measured delay is between the hard (1-3 keV) direct continuum and the soft excess (0.5-1 keV), interpreted as the reflection continuum smeared b...
1112.1717v2
2012-02-06
Unconventional superconducting gap via spin fluctuations in iron-vacancy ordered A$_{y}$Fe$_{2-x}$Se$_{2}$
Based on an effective 12-orbital tight-binding model, we examine the superconducting states induced by the antiferromagnetic fluctuations for iron-vacancy-ordered A$_{y}$Fe$_{2-x}$Se$_{2}$. It is shown that due to the broken reflection symmetry induced by the iron vacancies, new superconducting states with $C_{4h}$ sym...
1202.1063v2
2012-02-17
Electronic and Magnetic Structures of Chain Structured Iron Selenide Compounds
Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 (2212\ast) and BaFe2Se3(123\ast) are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional (1D) Fe chain (or ladder) structures, their electronic structures are not close to be quasi-1...
1202.4016v1
2012-03-11
Iron-Based Superconductors: $S_4$ Symmetry Superconductors
I elaborate the construction of the recent two-orbital model for iron-based superconductors\cite{hu-hao} and discuss the properties of superconducting(SC) phases based on the $S_4$ symmetry. I demonstrate further that the underlining electronic structure is an almost decoupled two-orbital model obeying the $S_4$ symmet...
1203.2304v3
2012-06-27
Quantum Monte Carlo Study of Pairing Symmetry and Correlation in Iron-based Superconductors
We perform a systematic quantum Monte Carlo study of the pairing correlation in the $S_4$ symmetric microscopic model for iron-based superconductors. It is found that the pairing with an extensive s-wave symmetry robustly dominates over other pairings at low temperature in reasonable parameter region. The pairing susce...
1206.6277v2
2012-07-23
A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: application to goethite and jarosite
We measured the reduced partition function ratios for iron isotopes in goethite FeO(OH), potassium-jarosite KFe3(SO4)2(OH)6, and hydronium-jarosite (H3O)Fe3(SO4)2(OH)6, by Nuclear Resonant Inelastic X-Ray Scattering (NRIXS, also known as Nuclear Resonance Vibrational Spectroscopy -NRVS- or Nuclear Inelastic Scattering ...
1207.5559v1
2012-08-28
Orbital-selective Mott Phase in Multiorbital Models for Alkaline Iron Selenides K(1-x)Fe(2-y)Se2
We study a multiorbital model for the alkaline iron selenides K(1-x)Fe(2-y)Se2 using a slave-spin method. With or without ordered vacancies, we identify a metal-to-Mott-insulator transition at the commensurate filling of six 3d electrons per iron ion. For Hund's couplings beyond a threshold value, this occurs via an in...
1208.5547v1
2012-08-30
A Short Review of the $S_4$ Symmetric Microscopic Model for Iron-Based High Temperature Superconductors
We briefly review the recently constructed two orbital microscopic model for iron-based superconductors based on $S_4$ symmetry (PRX 2 021009(2012)). With this faithful representation of the kinematics of the tri-layer FeAs or FeSe structure, the model provides answers and physical pictures to fundamental questions rel...
1208.6201v1
2012-12-17
The first-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate
We present the theoretical study of thermodynamical properties of fcc-Cu(001) substrate covered by iron-cobalt monolayer as well as by incomplete iron layer. The effective two-dimensional Heisenberg Hamiltonian is constructed from first principles and properties of exchange interactions are investigated. The Curie temp...
1212.4057v1
2013-02-22
Nematicity driven by hybridization in iron-based superconductors
In this paper we study an effective model for the normal state of iron-based superconductors. It has separate, but interacting itinerant and localized degrees of freedom, originating from the d_xz and d_yz, and from d_xy iron orbitals respectively. At low temperatures, below a mean-field phase transition, these differe...
1302.5739v2
2013-03-04
Broad K$α$ iron line from accretion disks around traversable wormholes
It has been proposed that the supermassive black hole candidates at the centers of galaxies might be wormholes formed in the early Universe and connecting our Universe with other sister Universes. The analysis of the profile of the relativistic K$\alpha$ iron line is currently the only available approach to probe the s...
1303.0624v2
2013-03-11
Mechanism for Odd Parity Superconductivity in Iron-Based Superconductors
Under the assumption that superconducting pairing is driven by local d-p hybridization, we show that the superconducting state in iron-based superconductors is classified as an odd parity s-wave spin-singlet pairing state in a single trilayer FeAs/Se, the building block of the materials. In a low energy effective model...
1303.2624v2
2013-03-25
Upturn observed in heavy nuclei to iron ratios by the ATIC-2 experiment
The ratios of fluxes of heavy nuclei from sulfur (Z=16) to chromium (Z=24) to the flux of iron were measured by the ATIC-2 experiment. The ratios are decreasing functions of energy from 5 GeV/n to approximately 80 GeV/n, as expected. However, an unexpected sharp upturn in the ratios are observed for energies above 100 ...
1303.6108v1
2013-04-08
Spin states of iron impurities in magnesium oxide under pressure: A possible intermediate state
Ferropericlase (Mg,Fe)O is a major lower mantle mineral, and studying its properties is a fundamental step toward understanding the Earth's interior. Here, we performed a first-principles investigation on the properties of iron as an isolated impurity in magnesium oxide, which is the condition of ferropericlase under w...
1304.2227v1
2013-05-15
Iron impurities in gold and silver: Comparison of transport measurements to numerical renormalization group calculations exploiting non-Abelian symmetries
We consider iron impurities in the noble metals gold and silver and compare experimental data for the resistivity and decoherence rate to numerical renormalization group results. By exploiting non-Abelian symmetries we show improved numerical data for both quantities as compared to previous calculations [Costi et al., ...
1305.3551v2
2013-07-08
K$α$ iron line profile from accretion disks around regular and singular exotic compact objects
The nature of the super-massive black hole candidates in galactic nuclei can be tested by analyzing the profile of the K$\alpha$ iron line observed in their X-ray spectrum. In this paper, we consider the possibility that the spacetime in the immediate vicinity of these objects may be described by some non vacuum exact ...
1307.2106v2
2013-07-18
Iron Line Variability of Discoseismic Corrugation Modes
Using a fast semi-analytic raytracing code, we study the variability of relativistically broadened iron lines due to discoseismic oscillations concentrated in the inner-most regions of accretion discs around black holes. The corrugation mode, or c-mode, is of particular interest as its natural frequency corresponds wel...
1307.4971v1
2013-07-31
Determination of the iron content of Cepheids from the shape of their light curves
We present the study of the metallicity dependence of the Fourier amplitude ratios R_21 and R_31 for the light curves of short-period Galactic classical Cepheids in B, V, R_C and I_C bands. Based on the available photometric and spectroscopic data we determined the relations between the atmospheric iron abundance, [Fe/...
1307.8275v1
2013-08-19
Broad iron lines in neutrons stars: dynamical broadening or wind scattering?
Broad iron emission lines are observed in many accreting systems from black holes in AGN and X-ray binaries to neutron star low-mass X-ray binaries. The origin of the line broadening is often interpreted as due to dynamical broadening and relativistic effects. However, alternative interpretations have been proposed, in...
1308.4023v1
2013-09-17
A Chandra view of the clumpy reflector at the heart of the Circinus galaxy
We present a spectral and imaging analysis of the X-ray reflecting structure at the heart of the Circinus galaxy, investigating the innermost regions surrounding the central black hole. By studying an archival 200 ks Chandra ACIS-S observation, we are able to image the extended clumpy structure responsible for both col...
1309.4456v1
2013-10-15
Atomic structure of grain boundaries in iron modeled using the atomic density function
A model based on the continuous atomic density function (ADF) approach is applied to predict the atomic structure of grain boundaries (GBs) in iron. Symmetrical [100] and [110] tilt GBs in bcc iron are modeled with the ADF method and relaxed afterwards in molecular dynamics (MD) simulations. The shape of the GB energy ...
1310.3964v2
2013-12-17
Ground state pairing correlations in the $S_4$ symmetric microscopic model for iron-based superconductors
We present the ground state pairing correlations in the $S_4$ symmetric microscopic model for iron-based superconductors, computed with the constrained-path Monte Carlo method. For various electron fillings and interaction strengths, we find that the $s_{xy}$ pairing dominates over other pairing correlations and is pos...
1312.4777v2
2014-03-05
Electrical and optical properties of fluid iron from compressed to expanded regime
Using quantum molecular dynamics simulations, we show that the electrical and optical properties of fluid iron change drastically from compressed to expanded regime. The simulation results reproduce the main trends of the electrical resistivity along isochores and are found to be in good agreement with experimental dat...
1403.1030v1
2014-06-07
Optical conductivity of iron-based superconductors
The new family of unconventional iron-based superconductors discovered in 2006 immediately relieved their copper-based high-temperature predecessors as the most actively studied superconducting compounds in the world. The experimental and theoretical effort made in order to unravel the mechanism of superconductivity in...
1406.1879v1
2014-06-09
Manipulation of gap nodes by uniaxial strain in iron-based superconductors
In the iron pnictides and chalcogenides, multiple orbitals participate in the superconducting state, enabling different gap structures to be realized in distinct materials. Here we argue that the spectral weights of these orbitals can in principle be controlled by a tetragonal symmetry-breaking uniaxial strain, due to ...
1406.2388v2
2014-07-24
Parallax diagnostics of radiation source geometric dilution for iron opacity experiments
Experimental tests are in progress to evaluate the accuracy of the modeled iron opacity at solar interior conditions [J.E. Bailey et al., Phys. Plasmas 16, 058101 (2009)]. The iron sample is placed on top of the Sandia National Laboratories z-pinch dynamic hohlraum (ZPDH) radiation source. The samples are heated to 150...
1407.6645v1
2014-09-23
Superconductivity and its mechanism in an ab initio model for electron-doped LaFeAsO
Two families of high temperature superconductors whose critical temperatures are higher than 50K are known. One is the copper oxides and the other is the iron-based superconductors. Comparisons of mechanisms between these two in terms of common ground as well as distinctions will greatly help in searching for higher Tc...
1409.6536v1
2014-10-14
Entangled Orbital Triplet Pairs in Iron-Based Superconductors
A key question in high temperature iron-based superconductivity is the mechanism by which the paired electrons minimize their strong mutual Coulomb repulsion. While electronically paired superconductors generally avoid the Coulomb interaction through the formation of nodal, higher angular momentum pairs, iron based sup...
1410.3554v1
2014-10-27
First-principles study of intermediate-spin ferrous iron in the Earth's lower mantle
Spin crossover of iron is of central importance in solid Earth geophysics. It impacts all physical properties of minerals that altogether constitute $\sim 95$ vol\% of the Earth's lower mantle: ferropericlase [(Mg,Fe)O] and Fe-bearing magnesium silicate (MgSiO$_3$) perovskite. Despite great strides made in the past dec...
1410.7200v1
2014-12-04
Magnetism of the Fe$^{2+}$ and Ce$^{3+}$ sublattices in Ce$_{2}$O$_{2}$FeSe$_{2}$: a combined neutron powder diffraction, inelastic neutron scattering and density functional study
The discovery of superconductivity in the 122 iron selenide materials above 30 K necessitates an understanding of the underlying magnetic interactions. We present a combined experimental and theoretical investigation of magnetic and semiconducting Ce$_{2}$O$_{2}$FeSe$_{2}$ composed of chains of edge-linked iron selenid...
1412.1773v1
2014-12-23
Atomic, electronic and magnetic structure of graphene/iron and nickel interfaces: theory and experiment
First-principles calculations of the effect of carbon coverage on the atomic, electronic and magnetic structure of nickel and iron substrates demonstrate insignificant changes in the interatomic distances and magnetic moments on the atoms of the metallic substrates. The coverage of the iron surface by mono- and few-lay...
1412.7291v1
2015-03-20
Thermoelasticity of Fe2+-bearing bridgmanite
We present LDA+U calculations of high temperature elastic properties of bridgmanite with composition (Mg$_{(1-x)}$Fe$_{x}^{2+}$)SiO$_3$ for $0\le{x}\le0.125$. Results of elastic moduli and acoustic velocities for the Mg-end member (x=0) agree very well with the latest high pressure and high temperature experimental mea...
1503.05983v1
2015-05-07
Type Ia Supernova Remnants: Shaping by Iron Bullets
Using 2D numerical hydrodynamical simulations of type Ia supernova remnants (SNR Ia) we show that iron clumps few times denser than the rest of the SN ejecta might form protrusions in an otherwise spherical SNR. Such protrusions exist in some SNR Ia, e.g., SNR 1885 and Tycho. Iron clumps are expected to form in the def...
1505.02034v2
2015-07-13
Electronic and magnetic properties of orthorhombic iron selenide (FeSe)
Iron orbitals in orthorhombic iron selenide (FeSe) can produce charge-like multipoles that are polar (parity-odd). Orbitals in question include Fe(3d), Fe(4p) and p-type ligands that participate in transport properties and bonding. The polar multipoles may contribute weak, space-group forbidden Bragg spots to diffracti...
1507.03449v3
2015-07-16
Feasibility of pulsed inflector for g-2ring (1)
We revise a possibility of usage iron-free fast pulsed magnet as inflector for g-2 ring, coming to conclusion that it is a feasible option.
1507.04796v1
2015-08-06
Charge Nematicity and Electronic Raman Scattering in Iron-based Superconductors
We review the recent developments in electronic Raman scattering measurements of charge nematic fluctuations in iron-based superconductors. A simple theoretical framework of a $d$-wave Pomeranchuk transition is proposed in order to capture the salient features of the spectra. We discuss the available Raman data in the ...
1508.01319v2
2015-08-29
Competing Magnetic Fluctuations in Iron Pnictide Superconductors: Role of Ferromagnetic Spin Correlations Revealed by NMR
In the iron pnictide superconductors, theoretical calculations have consistently shown enhancements of the static magnetic susceptibility at both the stripe-type antiferromagnetic (AFM) and in-plane ferromagnetic (FM) wavevectors. However, the possible existence of FM fluctuations has not yet been examined from a micro...
1508.07506v1
2015-12-23
Giant biquadratic interaction induced magnetic anisotropy in the iron-based superconductor AxFe2-ySe2
The emergence of the electron-pocket only iron-based superconductor AxFe2-ySe2 (A = alkali metal) challenges the Fermi-surface nesting picture established in iron-pnictides. It was widely believed that magnetism is correlated with the superconductivity in AxFe2-ySe2. Unfortunately, the highly anisotropic exchange param...
1512.07327v1
2016-01-08
Isotropic Cooper Pairs with Emergent Sign Changes in Single-Layer Iron Superconductor
We model a single layer of heavily electron-doped FeSe by spin-1/2 moments over a square lattice of iron atoms that include the 3d xz and 3d yz orbitals, at strong on-site Coulomb repulsion. Above half filling, we find emergent hole bands below the Fermi level at the center of the one-iron Brillouin zone in a half meta...
1601.01860v3
2016-03-18
Stability mechanisms of high current transport in iron-chalcogenides superconducting films
The improvement in the fabrication techniques of iron-based superconductors have made these materials real competitors of high temperature superconductors and MgB$_2$. In particular, iron-chalcogenides have proved to be the most promising for the realization of high current carrying tapes. But their use on a large scal...
1603.05980v1
2016-05-15
Nonlocal correlations in the vicinity of the $α$-$γ$ phase transition in iron within a DMFT plus spin-fermion model approach
We consider nonlocal correlations in iron in the vicinity of the $\alpha$-$\gamma$ phase transition within the spin-rotationally-invariant dynamical mean-field theory (DMFT) approach, combined with the recently proposed spin-fermion model of iron. The obtained nonlocal corrections to DMFT yield a decrease of the Curie ...
1605.04589v2
2016-06-01
Quasi-particle bands and structural phase transition of iron from Gutzwiller Density-Functional Theory
We use the Gutzwiller Density Functional Theory to calculate ground-state properties and bandstructures of iron in its body-centered-cubic (bcc) and hexagonal-close-packed (hcp) phases. For a Hubbard interaction $U=9\, {\rm eV}$ and Hund's-rule coupling $J=0.54\, {\rm eV}$ we reproduce the lattice parameter, magnetic m...
1606.00307v1
2016-08-03
Moiré-free ultrathin iron oxide film: FeO(111) on Ag(111)
Ultrathin iron oxide films epitaxially grown on the (111)- and (0001)-oriented metal single crystal supports exhibit unique electronic, catalytic and magnetic properties not observed for the corresponding bulk oxides. These properties originate mainly from the presence of Moir\'e superstructures which, in turn, disqual...
1608.01376v2
2016-08-21
Coexistence of antiferromagnetic and ferromagnetic spin correlations in Ca(Fe1-xCox)2As2 revealed by 75As nuclear magnetic resonance
Recent nuclear magnetic resonance (NMR) measurements revealed the coexistence of stripe-type antiferromagnetic (AFM) and ferromagnetic (FM) spin correlations in both the hole- and electron-doped BaFe$_2$As$_2$ families of iron-pnictide superconductors by a Korringa ratio analysis. Motivated by the NMR work, we investig...
1608.05952v1
2016-08-29
Frustrated magnetism and bicollinear antiferromagnetic order in FeTe
Iron chalcogenides display a rich variety of electronic orders in their phase diagram. A particularly enigmatic case is FeTe, a metal which possesses co-existing hole and electron Fermi surfaces as in the iron pnictides but has a distinct ($\pi$/2,$\pi/2$) bicollinear antiferromagnetic order in the Fe square lattice. W...
1608.08206v1
2016-09-12
Spin excitations in hole-overdoped iron-based superconductors
Understanding the overall features of magnetic excitation is essential for clarifying the mechanism of Cooper pair formation in iron-based superconductors. In particular, clarifying the relationship between magnetism and superconductivity is a central challenge because magnetism may play a key role in their exotic supe...
1609.03335v1
2016-09-21
Nematicity at the Hund's metal crossover in iron superconductors
The theoretical understanding of the nematic state of iron-based superconductors and especially of FeSe is still a puzzling problem. Although a number of experiments calls for a prominent role of local correlations and place iron superconductors at the entrance of a Hund metal state, the effect of the electronic correl...
1609.06672v2