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2009-05-26
Analysis of transport properties of iron pnictides: spin-fluctuation scenario
We present a phenomenological theory of quasiparticle scattering and transport relaxation in the normal state of iron pnictides based on the simplified two-band model coupled via spin fluctuations. In analogy with anomalous properties of cuprates it is shown that a large and anomalous normal-state resistivity and therm...
0905.4153v2
2009-05-29
Tight-binding models for the new iron based superconductor materials
The rich novel materials class of iron based superconductors turned out to exhibit a very complex electronic structure, despite of the simplicity of their crystal structures. For various approaches to study the instability against magnetic order or superconductivity, a real space description of the electronic structure...
0905.4844v2
2009-07-01
The Stoichiometry of FeSe
Tetragonal iron selenide, FeSe, the layered parent compound of the recently discovered superconducting arsenide family, has previously been shown to be non magnetic and superconducting with a critical temperature near 8 K. There has, however, been a lack of consensus as to whether selenium vacancies present due to larg...
0907.0174v1
2009-09-07
Modeling Antiferromagnetic Phase in Iron Pnictides: Weakly Ordered State
We examine electronic states of antiferromagnetic phase in iron pnictides by mean-field calculations of the optical conductivity. We find that a five-band model exhibiting a small magnetic moment, inconsistent with the first-principles calculations, reproduces well the excitation spectra characterized by a multi-peak s...
0909.1081v2
2009-09-07
First-principles-based $\pm s$-wave modelling for iron-based superconductors:Studies for specific heat and nuclear magnetic relaxation rate
In order to consistently explain controversial experimental results on superconducting states observed by different probes in typical iron-based superconductors, we construct a realistic multi-band $\pm s$-wave pairing model by combining the quasiclassical formalism with the first-principles calculation. The model succ...
0909.1195v1
2009-09-15
Bulk Superconductivity at 2.6 K in Undoped RbFe_2As_2
The iron arsenide RbFe_2As_2 with the ThCr_2Si_2-type structure is found to be a bulk superconductor with T_c=2.6 K. The onset of diamagnetism was used to estimate the upper critical field H_c2(T), resulting in dH_c2/dT=-1.4 T/K and an extrapolated H_c2(0)=2.5 T. As a new representative of iron pnictide superconductors...
0909.2740v1
2009-11-16
Simple Real-Space Picture of Nodeless and Nodal s-wave Gap Functions in Iron Pnictide Superconductors
We propose a simple way to parameterize the gap function in iron pnictides. The key idea is to use orbital representation, not band representation, and to assume real-space short-range pairing. Our parameterization reproduces fairly well the structure of gap function obtained in microscopic calculation. At the same tim...
0911.2959v2
2009-11-16
Nuclear Magnetic Relaxation Rate in Iron-Pnictide Superconductors
Nuclear magnetic relaxation rate 1/T_1 in iron-pnictide superconductors is calculated using the gap function obtained in a microscopic calculation. Based on the obtained results, we discuss the issues such as the rapid decrease of 1/T_1 just below the transition temperature and the difference between nodeless and nodal...
0911.2963v1
2009-12-09
FERO (Finding Extreme Relativistic Objects): relativistic Iron K alpha lines in type 1 AGN
The observational evidence for AGN relativistic Iron lines is very much debated. To address this topic, the FERO project makes use of the largest sample of X-ray spectra of radio quiet Type 1 AGN available in the XMM-Newton archive. We perform a systematic fit of the individual sources using a full relativistic code. R...
0912.1889v1
2009-12-16
Anomalous normal-state properties of iron pnictides: phenomenological theory
We employ the phenomenological theory of the quasiparticle relaxation based on the simplified two-band description and the spin-fluctuation induced interband coupling to analyze recent normal-state transport data in electron-doped iron pnictides, in particular the Ba(Fe_1-x Co_x)_2As_2 family. Temperature dependence of...
0912.3122v2
2010-01-26
On spatial non-homogeneity in iron pnictides: formation of stripes
The heterogeneous coexistence of antiferromagnetism (SDW) and superconductivity on a mesoscopic scale was observed in iron-pnictides in many recent experiments. We suggest and discuss the scenario in which the heterogeneity is caused by formation of domain walls inherent to the SDW state of pnictides at a proper doping...
1001.4641v2
2010-02-13
Spin and Charge Dynamics Ruled by Antiferromagnetic Order in Iron Pnictides
We examine the spin and charge excitations in antiferromagnetic iron pnictides by mean-field calculations with a random phase approximation in a five-band itinerant model. The calculated excitation spectra reproduce well spin-wave dispersions observed in inelastic neutron scattering, with a realistic magnetic moment fo...
1002.2701v2
2010-02-17
Evidence for an electron nematic phase transition in underdoped iron pnictide superconductors
Electrical resistivity measurements of detwinned single crystals of the representative iron arsenide Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ reveal a dramatic in-plane anisotropy associated with the tetragonal-to-orthorhombic structural transition that precedes the onset of long-range antiferromagnetic order. These results indi...
1002.3364v2
2010-03-03
Relationship between Colours of Ochre from Roussillon and Content of Iron-Bearing Minerals
Nine samples of ochre originating from the Sentier des Ocres near Roussillon, France, were studied with Mossbauer spectroscopy and Spectro-photo-colorimetry. The former yielded a quantitative phase analysis of iron containing minerals (goethite, hematite and kaolin), and the latter enabled determination of the CIE-L*a*...
1003.0760v1
2010-03-10
Dichotomy between large local and small ordered magnetic moment in Iron-based superconductors
We study a four band model for iron-based superconductors within local density approximation + dynamical mean field theory (LDA+DMFT). This successfully reproduces the results of models which take As p degrees of freedom explicitly into account and has several physical advantages over the standard five d-band model. Ou...
1003.2162v1
2010-03-19
Gamma ray production in inelastic scattering of neutrons produced by cosmic muons in $^{56}$Fe
We report on the study of the intensities of several gamma lines emitted after the inelastic scattering of neutrons in $^{56}$Fe. Neutrons were produced by cosmic muons passing the 20t massive iron cube placed at the Earth's surface and used as a passive shield for the HPGe detector. Relative intensities of detected ga...
1003.3890v1
2010-05-06
Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors
We introduce a first principles approach to determine the strength of the electronic correlations based on the fully self consistent GW approximation. The approach provides a seamless interface with dynamical mean field theory, and gives good results for well studied correlated materials such as NiO. Applied to the rec...
1005.0885v1
2010-06-11
Structural Features of Layered Iron Pnictide Oxides (Fe2As2)(Sr4M2O6)
Structural features of newly found perovskite-based iron pnictide oxide system have been systematically studied. Compared to REFePnO system, perovskite-based system tend to have lower Pn-Fe-Pn angle and higher pnictogen height owing to low electronegativity of alkaline earth metal and small repulsive force between pnic...
1006.2351v1
2010-06-21
Phase Field Crystal Study of Symmetric Tilt Grain Boundaries of Iron
We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen et al., Phys. Rev. B 80, 031602 (2009)]. The grain boundary free energies we obta...
1006.5405v1
2010-06-28
Eliashberg Analysis of Optical Spectra Reveals Strong Coupling of Charge Carriers to Spin Fluctuations in Superconducting Iron Pnictides
The temperature and frequency dependences of the optical conductivity of Co and Ni-doped BaFe2As2 are analyzed and the electron-boson spectral density a2F(w) extracted using Eliashberg's formalism. The characteristic energy of a large peak in the spectrum around 10 meV coincide with the resonance peak in the spin excit...
1006.5468v1
2010-07-15
The electronic instabilities of the Iron-based superconductors: a variational Monte-Carlo study
We report the first variational Monte Carlo (VMC) study of the iron-based superconductors. We use realistic band structures, and the ordering instabilities/variational ansatzs are suggested by previous functional renormalization group calculations. We examine antiferromagnetism, superconducting pairing, normal state fe...
1007.2643v4
2010-08-03
Rescaled potential for transition metal solutes in a-iron
We present empirical potentials for dilute transition metal solutes in a-iron. It is in the Finnis-Sinclair form and is therefore suitable for billion atom molecular dynamics simulations. First principles calculation shows that there are clear trends across the transition metal series which enable us to relate the resc...
1008.0508v1
2010-08-17
Domain Walls in Normal and Superconducting States of Iron Pnictides
The electronic and magnetic structures in the normal and superconducting states of iron pnictides are investigated by solving self-consistently the Bogoliubov-de Gennes equation. It is shown that strong electron correlations can induce domain walls, which separate regions with different spin density wave orders. At zer...
1008.2981v1
2010-09-02
Toroidal Carbon Nanotubes with Encapsulated Atomic Metal Loops
Toroidal carbon nanotubes can serve as hosts for encapsulated loops of atomic metal wires. Such composite structures have been analyzed using density functional theory for a semiconducting C$_{120}$ torus encapsulating chains of Fe, Au and Cu atoms. The sheathed metal necklaces form a zigzag structure and drops the HOM...
1009.0442v1
2010-09-20
Non-Fermi-Liquid-Like Behaviors and Superconductivity Driven by Orbital Fluctuations in Iron Pnictides: Analysis by Fluctuation-Exchange Approximation
We study the five-orbital Hubbard-Holstein model for iron pnictides with small electron-phonon interaction due to Fe-ion Einstein oscillators. Using the fluctuation-exchange (FLEX) approximation, orbital fluctuations evolve inversely proportional to the temperature, and therefore the resistivity shows linear or convex ...
1009.3882v1
2010-09-29
Phase Separation and Chemical Inhomogeneity in the Iron Chalcogenide Superconductor Fe1+yTexSe1-x
We report investigation on Fe1+yTexSe1-x single crystals by using scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). Both nonsuperconducting samples with excess iron and superconducting samples demonstrate nanoscale phase separation and chemical inhomogeneity of Te/Se content...
1009.6010v1
2010-12-02
Comment on "Violation of Anderson's Theorem for the sign-reversing s-wave state of Iron-Pnictide Superconductors" by Onari et al., Phys. Rev. Lett. 103, 177001(2009)[1]
We pointed out that the main claim of Ref.[1] that the presence of the orbital degree of freedom is essential to describe the correct impurity effects for Iron-based superconductors is incorrect and demonstrated the equivalent results of Tc suppression due to impurities by both the band basis model and the orbital basi...
1012.0414v1
2011-01-05
77Se NMR study of pairing symmetry and spin dynamics in KyFe2-xSe2
We present a 77Se NMR study of the newly discovered iron selenide superconductor KyFe2-xSe2, in which Tc = 32 K. Below Tc, the Knight shift 77K drops sharply with temperature, providing strong evidence for singlet pairing. Above Tc, Korringa-type relaxation indicates Fermi-liquid behavior. Our experimental results set ...
1101.1017v2
2011-01-06
Comment on "Orbital Order, Structural Transition and Superconductivity in Iron Pnictides" [arXiv:1010.0129] by Yanagi et al
In contrast to the claim by Yanagi et al. in Ref. [1], the development of orbital fluctuations at $q ~ 0$ due to the "orthorhombic phonon" is unable to explain the high-Tc superconductivity in iron pnictides. The reason is that the orthorhombic-phonon is acoustic with the energy $\omega_q \propto q$, although the autho...
1101.1157v3
2011-01-18
Temperature-dependent spin resonance energy in iron pnictides and multiband s\pm Eliashberg theory
The phenomenology of iron-pnictides superconductors can be explained in the framework of a three bands s\pm wave Eliashberg theory with only two free parameters plus a feedback effect i.e. the effect of the condensate on the antiferromagnetic spin fluctuactions responsible of the superconductivity in these compounds. I...
1101.3473v2
2011-02-18
Maximizing Fermi surface multiplicity optimizes superconductivity in iron pnictides
We study the condition for optimizing superconductivity in the iron pnictides from the lattice structure point of view. Studying the band structure of the hypothetical lattice structure of LaFeAsO, the hole Fermi surface multiplicity is found to be maximized around the Fe-As-Fe bond angle regime where the arsenic atoms...
1102.3765v1
2011-03-10
From density functional theory to the functional renormalization group: superconductivity in the iron pnictide LiFeAs
A combined density functional theory and functional renormalization group method is introduced which takes into account orbital-dependent interaction parameters to derive the effective low-energy theory of weakly to intermediately correlated Fermi systems. As an application, the competing fluctuations in LiFeAs are inv...
1103.2101v1
2011-04-07
Detection of melting by in-situ observation of spherical-drop formation in laser-heated diamond-anvil cells
A simple method for detection of melting event in laser-heated diamond anvil cells (DACs) is introduced. The melting is registered optically by the formation of spherical drops of the investigated material as heated in an inert pressure transmitting medium. Feasibility of the method is demonstrated on the examples of m...
1104.1304v1
2011-04-26
Specific heat jump at superconducting transition in the presence of Spin-Density-Wave in iron-pnictides
We analyze the magnitude of the specific heat jump \Delta C at the superconducting transition temperature T_c in the situation when superconductivity develops in the pre-existing antiferromagnetic phase. We show that \Delta C/T_c differs from the BCS value and is peaked at the tri-critical point where this coexistence ...
1104.5037v1
2011-04-28
Spin and Orbital Characters of Excitations in Iron Arsenide Superconductors Revealed by Simulated Fe L-Edge RIXS
We theoretically examine the orbital excitations coupled to the spin degree of freedom in the parent state of the iron-arsenide superconductor, based on the calculation in a five-band itinerant model. The calculated Fe $L_3$-edge resonant inelastic x-ray scattering (RIXS) spectra disclose the presence of spin-flip exci...
1104.5424v2
2011-05-10
Consistent picture for the electronic structure around a vortex core in iron-based superconductors
Based on a two-orbital model and taking into account the presence of the impurity, we studied theoretically the electronic structure in the vortex core of the iron-Pnictide superconducting materials. The vortex is pinned when the impurity is close to the vortex core. The bound states shows up for the unpinned vortex an...
1105.1851v1
2011-05-19
Differential conductance of point contacts between an iron-based superconductor and a normal metal
We present a theoretical description of the differential conductance of point contacts between a normal metal and a multi-band superconductor with extended s\pm pairing symmetry. We demonstrate that the interband impurity scattering broadens the coherent peak near the superconducting gap and significantly reduces its h...
1105.3926v2
2011-05-26
Orbital-spin ordering in the striped antiferromagnetic state of iron-based superconductors
The magnetic properties of iron-arsenides are investigated using the LSDA+U approach. In addition to one high moment state, we find that a positive U also produces two low moment states with m~0.4 $\mu_{B}$ and m~1.0 $\mu_{B}$. The electronic structures indicate that the low moment states originate in the strong orbita...
1105.5412v1
2011-06-12
Anomalies in the Multicritical Behavior of Staggered Magnetic and Direct Magnetic Susceptibilities of Iron Group Dihalides
In this study, the temperature dependencies of magnetic response functions of the anhydrous dihalides of iron-group elements are examined in the neighborhood of multi-critical points (tricritical, critical end point, double critical end point) and first order transition temperatures within molecular field approximation...
1106.2308v1
2011-06-22
Magnetic excitations in iron pnictides
Spin wave dispersion and damping are investigated in the metallic SDW state of different itinerant electron models including a small interlayer hopping. Magnetic excitations in iron pnictides are shown to be well understood in terms of physical mechanisms characteristic of metallic magnets, such as carrier-induced ferr...
1106.4421v1
2011-07-04
Reply to Comment on "Neutron-Inelastic-Scattering Peak by Dissipationless Mechanism in the $s_{++}$-wave State in Iron-based Superconductors" [arXiv:1106.2376] by Y. Nagai and K. Kuroki
This article is a reply to the comment by Nagai and Kuroki [arXiv:1106.2376] for our unpublished paper in arXiv [arXiv:1105.6233]. Contrary to their claim, we certainly obtain a large hump structure at $q=(\pi,0)$ in the $s_{++}$-wave state in iron pnictides due to the ``dissipationless mechanism'', even when similar p...
1107.0748v1
2011-11-15
First principles study of iron-based molecule grafted on graphene
Motivated by recent experimental studies on single molecular magnets grafted on graphene and single walled carbon nanotubes, we investigate the structural, electronic, and magnetic properties of an iron based magnetic molecule grafted on a graphene sheet using \textit{ab initio} calculations. In particular, the induc...
1111.3516v1
2011-11-30
Electronic and Magnetic Structure of Possible Iron Based Superconductor BaFe2Se3
We present results of LDA calculations (band structure, densities of states, Fermi surfaces) for possible iron based superconductor BaFe2Se3 (Ba123) in normal (paramagnetic) phase. Results are briefly compared with similar data on prototype BaFe2As2 and (K,Cs)Fe2Se2 superconductors. Without doping this system is antife...
1111.7046v1
2011-12-20
Ab initio Evidence for Strong Correlation Associated with Mott Proximity in Iron-based Superconductors
We predict that iron-based superconductors discovered near d6 configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d5 (namely, half filling). This is based on the many-variable variational Monte-Carlo ...
1112.4682v1
2011-12-21
Dislocation core field. II. Screw dislocation in iron
The dislocation core field, which comes in addition to the Volterra elastic field, is studied for the <111> screw dislocation in alpha-iron. This core field, evidenced and characterized using ab initio calculations, corresponds to a biaxial dilatation, which we modeled within the anisotropic linear elasticity. We show ...
1112.4936v1
2011-12-31
Brief review on iron-based superconductors: are there clues for unconventional superconductivity?
Study of superconductivity in layered iron-based materials was initiated in 2006 by Hosono's group, and boosted in 2008 by the superconducting transition temperature, Tc, of 26 K in LaFeAsO1-xFx. Since then, enormous researches have been done on the materials, with Tc reaching as high as 55 K. Here, we review briefly e...
1201.0237v1
2012-01-26
Effect of uniaxial pressure on the magneto-structural transitions of iron arsenide superconductors
We study theoretically the variation of the magnetic and the structural transition temperatures of the iron arsenide superconductors with external uniaxial stress. We show that the increase of the transition temperatures reported in recent experiments is compatible with a simple magneto-elastic model in which the physi...
1201.5594v2
2012-03-05
Iron-platinum-arsenide superconductors Ca10(PtnAs8)(Fe2-xPtxAs2)5
An overview of the crystal structures and physical properties of the recently discovered iron-platinum-arsenide superconductors, Ca10(PtnAs8)(Fe2-xPtxAs2)5 (n = 3 and 4), which have a superconducting transition temperature up to 38 K, is provided. The crystal structure consists of superconducting Fe2As2 layers alternat...
1203.0821v1
2012-03-15
Divergent nematic susceptibility in an iron arsenide superconductor
Within the Landau paradigm of continuous phase transitions, ordered states of matter are characterized by a broken symmetry. Although the broken symmetry is usually evident, determining the driving force behind the phase transition is often a more subtle matter due to coupling between otherwise distinct order parameter...
1203.3239v1
2012-04-07
Rotationally-Invariant Exchange Interaction: The Case of Paramagnetic Iron
We present a generalization of the spin-fluctuation theory of magnetism which allows us to treat the full rotational invariance of the exchange interaction. The approach is formulated in terms of the local density approximation plus dynamical mean-field theory (LDA+DMFT), providing a systematic many-body treatment of t...
1204.1636v1
2012-05-29
Ab initio study of helium and hydrogen interactions in $α$-Fe
Density Functional Theory (DFT) calculations show a weak interaction between hydrogen and helium in iron, in contrast to previous reports of a strong trapping of hydrogen at helium. The strong preference of He and H to occupy regions with low electronic density (such as vacancies) explains this discrepancy, with vacanc...
1205.6374v2
2012-05-30
Multiple Superconducting Gaps, Anisotropic Spin Fluctuations and Spin-Orbit Coupling in Iron-Pnictides
This article reviews the NMR and NQR studies on iron-based high-temperature superconductors by the IOP/Okayama group. It was found that the electron pairs in the superconducting state are in the spin-singlet state with multiple fully-opened energy gaps. The antiferromagnetic spin fluctuations in the normal state are fo...
1205.6589v1
2012-06-11
Chemical Bonds and Spin State Splittings in Spin Crossover Complexes. A DFT and QTAIM Analysis
Density functional theory (DFT) calculations have been performed for the high-spin (HS) and low-spin (LS) isomers of a series of iron(II) spin crossover complexes with nitrogen ligands. The calculated charge densities have been analyzed in the framework of the quantum theory of atoms in molecules (QTAIM). For a number ...
1206.2136v1
2012-06-13
Nuclear Resonance Vibrational Spectroscopy of Iron Sulfur Proteins
Nuclear inelastic scattering in conjunction with density functional theory (DFT) calculations has been applied for the identification of vibrational modes of the high-spin ferric and the high-spin ferrous iron-sulfur center of a rubredoxin-type protein from the thermophylic bacterium Pyrococcus abysii.
1206.2788v1
2012-10-26
Finite-size effect of antiferromagnetic transition and electronic structure in LiFePO4
The finite-size effect on the antiferromagnetic (AF) transition and electronic configuration of iron has been observed in LiFePO4. Determination of the scaling behavior of the AF transition temperature (TN) versus the particle-size dimension (L) in the critical regime 1-TN(L)/TN(XTL)\simL^-1 reveals that the activation...
1210.7167v1
2012-12-07
Molecular Dynamics and OKMC Study of Radiation Induced Motion of Voids and He Bubbles in BCC Iron
We show that voids adjacent to radiation damage cascades can be moved in their entirety by several lattice spacings. This is done using molecular dynamics cascade simulations in iron at energies of 1-5 keV. The effect of this mechanism is studied further using an OKMC code and shows enhancement of void diffusion by 2 o...
1212.1652v2
2012-12-13
Consequence of total lepton number violation in strongly magnetized iron white dwarfs
The influence of neutrinoless electron to positron conversion on cooling of strongly magnetized iron white dwarfs is studied. It is shown that they can be good candidates for soft gamma-ray repeaters and anomalous X-ray pulsars.
1212.3155v4
2013-01-08
Mechanism for the α -> ε phase transition in iron
The mechanism of the {\alpha}-{\epsilon} transition in iron is reconsidered. A path in the Burgers description of the bcc/hcp transition different from those previously considered is proposed. It relies on the assumption that shear and shuffle are decoupled and requires some peculiar magnetic order, different from that...
1301.1623v1
2013-03-06
Mixed-State Effect on the Low-Energy Spin Dynamics in Optimally-doped Iron Pnictide Superconductors
Based on a phenomenological model with $s_{\pm}$ or s-wave pairing symmetry, the mixed-state effect on the low-energy spin dynamics in optimally-doped iron pnictide superconductors is studied by solving Bogoliubov-de Gennes equations. Our results of the spin susceptibility at $\mathbf{q}=\mathbf{Q}$ in the normal, supe...
1303.1557v1
2013-03-15
van der Waals interaction in iron-chalcogenide superconductors
We demonstrate that the inclusion of van der Waals dispersive interaction sensibly improves the prediction of lattice constants by density functional theory in iron-chalcogenides (FeCh) superconductor compounds, namely FeSe and FeTe. We show how generalized gradient approximation (GGA) for the exchange correlation pote...
1303.3747v2
2013-03-25
To the interpretation of the upturn observed by ATIC in heavy nuclei to iron ratios
It is argued that the upturn observed in heavy nuclei to iron ratios as measured in the ATIC experiment could be understood within the model of closed galaxy with embedded local regions containing the sources of CR (Peters, Westergaard, 1977). The universal upturn near the energies of 200-300 GeV/n in the spectra of ab...
1303.6102v1
2013-04-29
Bulk Synthesis of Iron-based Superconductors
Exploratory synthesis efforts for iron-based superconductors (FeSC) have been driven by hopes of improving superconducting critical temperatures (TCs), providing high-quality samples for in-depth studies of intrinsic properties, and exploring potential superconductivity in similar families of materials. This manuscript...
1304.7708v1
2013-05-03
Fermiology, Orbital Order, Orbital Fluctuation and Cooper Pairing in Iron-based Superconductors
We address two important issues that arise in recent studies of iron-based superconductivity. (1) Why are the T_c of A_xFe_{2-y}Se_2 and the single unit cell FeSe on SrTiO$_3$ so high despite both only have electron pockets? (2) What (if any) are the effects of orbital order and orbital fluctuation on the Cooper pairin...
1305.0605v3
2013-05-08
Topological Surface States in Paramagnetic and Antiferromagnetic Iron Pnictides
The electronic structure of iron pnictides is topologically nontrivial, leading to the appearance of Dirac cones in the band structure for the antiferromagnetic phase. Motivated by the analogy with Dirac cones in graphene, we explore the possible existence of topologically protected surface states. Surprisingly, bands ...
1305.1770v2
2013-05-15
Nematic susceptibility of hole- and electron-doped BaFe2As2 iron-based superconductors from shear modulus measurements
The nematic susceptibility of hole-doped Ba1-xKxFe2As2 and electron-doped Ba(Fe1-xCox)2As2 iron-based superconductors is obtained from measurements of the elastic shear modulus using a three-point bending setup in a capacitance dilatometer. Nematic fluctuations, although weakened by doping, extend over the whole superc...
1305.3515v2
2013-07-04
Unusual band renormalization in the simplest iron based superconductor
The electronic structure of the iron chalcogenide superconductor FeSe_{1-x} was investigated by high- resolution angle-resolved photoemission spectroscopy (ARPES). The results were compared to DFT calculations showing some significant differences between the experimental electronic structure of FeSe_{1-x}, DFT calculat...
1307.1280v1
2013-09-25
Superconductivity in 1111-type CaFeAsF1-xHx induced by selective hydrogen elimination
The difference in thermal stability of F- and H- in 1111-type iron based superconductors, allows selective hydrogen elimination from non-superconductive CaFeAsF0.8H0.2 by thermal annealing. The analyzed chemical composition of the resulting samples indicates that incorporated hydrogen was selectively eliminated by ther...
1309.6398v2
2013-10-03
Raman scattering as a probe of charge nematic fluctuations in iron based superconductors
We report Raman scattering measurement of charge nematic fluctuations in the tetragonal phase of BaFe$_2$As$_2$ and Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ (x=0.04) single crystals. In both systems, the observed nematic fluctuations are found to exhibit divergent Curie-Weiss like behavior with very similar characteristic temper...
1310.0934v2
2013-12-17
Nesting Induced Large Magnetoelasticity in the Iron Arsenide Systems
A novel feature of the iron arsenides is the magnetoelastic coupling between the long wavelength in-plane strains of the lattice and the collective spin fluctuations of the electrons near the magnetic ordering wavevectors. Here, we study its microscopic origin from an electronic model with nested Fermi pockets and a no...
1312.4968v3
2014-01-15
X-ray absorption spectroscopy characterization of iron-oxide nanoparticles synthesized by high temperature plasma processing
Iron-oxide nanoparticles have been synthesized by high temperature arc plasma route with different plasma currents and characterized for their structure, morphology and local atomic order. Fe K-edge x-ray absorption spectra reveal distinct local structure of the samples grown with different plasma currents. We have sho...
1401.3655v1
2014-01-17
Globular clusters: a chemical roadmap between anomalies and homogeneity
For several decades, globular clusters have been considered the best example of simple stellar populations, hosting coeval and chemical homogeneous stars. The last decade of spectroscopic and photometric studies has revealed a more complex view of their chemical composition, with a high level of homogeneity in their ir...
1401.4323v1
2014-03-25
Functional Renormalization Group Analysis of $η$-Pairing in Iron-based Superconductors
Using functional renormalization group (FRG) approach, we analyze the $\eta$ pairing in a five d-orbital model for iron-pncitides. We find that the $\eta$ pairing between two hole pockets is a leading instability at low energy when the two hole pockets are close to a nesting condition. The result suggests that the syst...
1403.6240v1
2014-03-31
Evaluation of the Debye temperature for iron cores in human liver ferritin and its pharmaceutical analogue Ferrum Lek using Mossbauer spectroscopy
An iron polymaltose complex Ferrum Lek used as antianemic drug and considered as a ferritin analogue and human liver ferritin were investigated in the temperature range from 295K to 90K by means of 57Fe Mossbauer spectroscopy with a high velocity resolution i.e. in 4096 channels. The Debye temperatures equal to 502K fo...
1403.7900v1
2014-09-17
Electronic structure, spin excitations, and orbital ordering in a three-orbital model for iron pnictides
A three-orbital itinerant-electron model involving d_{xz}, d_{yz} and d_{xy} Fe 3d orbitals is proposed for iron pnictides towards understanding the (\pi,0) ordered magnetism and magnetic excitations in these materials. It is shown that this model at half filling yields a gapped (\pi,0) magnetic state with high degree ...
1409.4984v2
2014-10-18
Structural and magnetic characterisation of iron oxyselenides Ce2O2Fe2OSe2 and Nd2O2Fe2OSe2
We present here an investigation of the magnetic ordering in the Mott insulating oxyselenide materials Ln2O2Fe2OSe2 (Ln = Ce, Nd). Neutron powder diffraction data are consistent with a non-collinear multi-k ordering on the iron sublattice structure and analysis indicates a reduced magnetic correlation length perpendicu...
1410.4990v1
2014-11-21
Spontaneous appearance of nonzero momentum Cooper pairing: Possible application to the iron-pnictides
We suggest that an inhomogeneous (non-zero momentum) paired phase can appear in the absence of an external magnetic field in the system with a predominant interband pairing and with separate Fermi-surface sheets. The Fermi wave vector mismatch which appears in such situation can be compensated by nonzero center-of-mass...
1411.5882v1
2015-01-28
Synthesis of endohedral iron-fullerenes by ion implantation
In this paper, we discuss the results of our study of the synthesis of endohedral iron-fullerenes. A low energy Fe+ ion beam was irradiated to C60 thin film by using a deceleration system. Fe+-irradiated C60 thin film was analyzed by high performance liquid chromatography and laser desorption/ionization time-of-flight ...
1501.07022v1
2015-06-30
Orbital-selective electronic excitations in iron arsenides revealed by simulated nonresonant inelastic x-ray scattering
Nonresonant inelastic x-ray scattering (NIXS) is a possible tool to detect charge excitations in electron systems. In addition, multipole transitions at high-momentum-transfer region open a new possibility to determine orbital-selective electronic excitations in multi-orbital itinerant 3d electron systems. As a theoret...
1506.08972v1
2015-07-05
Magneto-orbital coupling in iron pnictides
A magneto-orbital coupling mechanism is proposed to account for the weak energy gap at the Fermi energy in the $(\pi,0)$ ordered SDW state of a realistic three band model for iron pnictides involving $d_{xz}$, $d_{yz}$, and $d_{xy}$ Fe orbitals. The orbital mixing terms between the $d_{xy}$ and $d_{xz}/d_{yz}$ orbitals...
1507.01189v1
2015-08-11
Multiple phase transitions in Pauli limited iron-based superconductors
Specific heat measurements have been successfully used to probe unconventional superconducting phases in one-band heavy-fermion and organic superconductors. We extend the method to study successive phase transitions in multi-band materials such as iron based superconductors. The signatures are multiple peaks in the spe...
1508.02740v2
2015-09-16
Structural transition and superconductivity in hydrothermally synthesized FeX (X = S, Se)
Tetragonal beta-FeSe obtained by hydrothermal reaction is not superconducting and transforms to a triclinic structure at 60 K unlike superconducting FeSe from solid state synthesis, which becomes orthorhombic at 90 K. In contrast, tetragonal iron sulphide FeS from hydrothermal synthesis is superconducting at 4.8 K but ...
1509.04851v1
2015-11-21
Ironing in the Dark
This paper presents the first polynomial-time algorithm for position and matroid auction environments that learns, from samples from an unknown bounded valuation distribution, an auction with expected revenue arbitrarily close to the maximum possible. In contrast to most previous work, our results apply to arbitrary (n...
1511.06918v1
2015-11-24
Testing the no-hair theorem with the continuum-fitting and the iron line methods: a short review
The continuum-fitting and the iron line methods are leading techniques capable of probing the spacetime geometry around astrophysical black hole candidates and testing the no-hair theorem. In the present paper, we review the two approaches, from the astrophysical models and their assumptions, to the constraining power ...
1511.07587v2
2016-05-06
Investigation of magnetic phases in parent compounds of Iron-chalcogenides via quasiparticle scattering interference
We employ a five-orbital tight-binding model to develop the mean field solution for various possible spin density wave states in the iron-chalcogenides. The quasiparticle interference (QPI) technique is applied to detect signatures of these states due to scatterings arising from non-magnetic impurities. Apart from the ...
1605.01798v1
2016-05-11
Vibrational and thermoelastic properties of bcc iron from selected EAM potentials
A comprehensive, critical study of the vibrational, thermodynamic and thermoelastic properties of bcc iron is presented, using well established semi-empirical embedded-atom method potentials available in the literature. Classical molecular dynamics simulations are used to address temperature effects, where dynamical ma...
1605.03334v2
2016-07-25
Evidences of Mott physics in iron pnictides from x-ray spectroscopy
X-ray emission and absorption spectroscopies are jointly used as fast probes to determine the evolution as a function of doping of the fluctuating local magnetic moments in K- and Cr- hole-doped BaFe2As2. An increase in the local moment with hole-doping is found, supporting the theoretical scenario in which a Mott insu...
1607.07417v1
2016-12-21
Unconventional superconductors: Iron-based diversity
Nine years ago, superconductors based on the magnetic element iron were discovered. A flurry of research activity has revealed an unprecedented diversity of chemical structures and physical properties. Similarly to other unconventional superconductors, stripe-type antiferromagnetism seems to play an important role. Par...
1612.07356v1
2017-03-09
Spin-wave excitations in the SDW state of iron pnictides: a comparison between the roles of interaction parameters
We investigate the role of Hund's coupling in the spin-wave excitations of the ($\pi, 0$) ordered magnetic state within a five-orbital tight-binding model for iron pnictides. To differentiate between the roles of intraorbital Coulomb interaction and Hund's coupling, we focus on the self-consistently obtained mean-field...
1703.03228v2
2017-04-13
Roles of anisotropic and unequal gaps in the quasiparticle interference of superconducting iron pnictides
We investigate the role of gap characteristics such as anisotropy and inequality of the gaps in the quasiparticle interferences of iron pnictides using a five-orbital tight-binding model. We examine how the difference in the sensitivities exhibited by the sign-changing and -preserving $s$-wave superconductivity in an a...
1704.04069v1
2017-04-18
Tilting the balance towards d-wave in iron-based superconductors
The intricate interplay of interactions and Fermiology can give rise to a close competition between nodeless (e.g. s-wave) and nodal (e.g. d-wave) order in electronically driven unconventional superconductors. We analyze how such a scenario is affected by a Zeeman magnetic field $H_{\text{Z}}$ and temperature $T$. In t...
1704.05525v1
2017-06-27
Orbital mismatch boosting nematic instability in iron-based superconductors
We derive the effective action for the collective spin modes in iron-based superconductors. We show that, due to the orbital-selective nature of spin fluctuations, the magnetic and nematic instabilities are controlled by the degrees of orbital nesting between electron and hole pockets. Within a prototypical three-pocke...
1706.08953v2
2017-07-08
Quasi-2D behavior of 112-type iron-based superconductors
Fluctuation magnetoconductivity and magnetization above the superconducting transition temperature (Tc) are measured on the recently discovered 112 family of iron-based superconductors (IBS), Ca$_{1-x}$La$_x$Fe$_{1-y}$Ni$_y$As$_2$, which presents an extra As-As chain spacer-layer. The analysis in terms of a generalizat...
1707.02470v1
2017-08-29
A compact cosmic muon veto detector and possible use with the Iron Calorimeter detector for neutrinos
The motivation for a cosmic muon veto (CMV) detector is to explore the possibility of locating the proposed large Iron Calorimeter (ICAL) detector at the India based Neutrino Observatory (INO) at a shallow depth. An initial effort in that direction, through the assembly and testing of a $\sim$ 1 m $\times$ 1 m $\times$...
1708.08597v2
2017-11-13
A possible explanation of the void discovered in the pyramid of Khufu on the basis of the pyramid texts
A recent exploration has shown the presence of a significant void in the pyramid of Khufu at Giza. A possible explanation of this space, interpreted as a chamber connected to the lower north channel and aimed to contain a specific funerary equipment is tentatively proposed. According to the Pyramid Texts, this equipmen...
1711.04617v2
2018-01-16
Iron single crystal growth from a lithium-rich melt
\alpha-Fe single crystals of rhombic dodecahedral habit were grown from a melt of Li$_{84}$N$_{12}$Fe$_{\sim 3}$. Crystals of several millimeter along a side form at temperatures around $T \approx 800^\circ$C. Upon further cooling the growth competes with the formation of Fe-doped Li$_3$N. The b.c.c. structure and good...
1801.05287v1
2018-03-21
Self-assembly of magnetic iron oxide nanoparticles into cuboidal superstructures
This chapter describes the synthesis and some characteristics of magnetic iron oxide nanoparticles, mainly nanocubes, and focus on their self-assembly into crystalline cuboids in dispersion. The influence of external magnetic fields, the concentration of particles, and the temperature on the assembly process is experim...
1803.07922v1
2018-04-14
"With 1 follower I must be AWESOME :P". Exploring the role of irony markers in irony recognition
Conversations in social media often contain the use of irony or sarcasm, when the users say the opposite of what they really mean. Irony markers are the meta-communicative clues that inform the reader that an utterance is ironic. We propose a thorough analysis of theoretically grounded irony markers in two social media...
1804.05253v1
2018-12-02
Novel Magnetic Block States in Low-Dimensional Iron-Based Superconductors
Inelastic neutron scattering recently confirmed the theoretical prediction of a $\uparrow\uparrow\downarrow\downarrow$-magnetic state along the legs of quasi-one-dimensional (quasi-1D) iron-based ladders in the orbital-selective Mott phase (OSMP). We show here that electron-doping of the OSMP induces a whole class of n...
1812.00325v2
2019-01-25
Polarized neutron reflectometry study from iron oxide nanoparticles monolayer
We report on the polarized neutron reflectometry investigation of monolayer of magnetic iron oxide nanoparticles assembled by the Langmuir-Schaefer method. After deposition onto a solid substrate the polarized neutron reflectometry measurements in the external magnetic field were carried out. Thickness, density, roughn...
1901.08819v1
2019-10-09
Electric-field control of magnetism in iron oxide nanoparticle / BaTiO3 film composites
We study composites of monodisperse ferrimagnetic nanoparticles (NPs) embedded into ferroelectric barium titanate (BTO) films. The BTO films were prepared by pulsed laser deposition. The composite consists of a stack of two BTO films sandwiching one monolayer of iron oxide NPs. We observe a magnetoelectric coupling due...
1910.04127v1