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2009-08-06
Track fitting by Kalman Filter method for a prototype cosmic ray muon detector
We have developed a track fitting procedure based on Kalman Filter technique for an Iron Calorimeter (ICAL) prototype detector when the detector is flushed with single muon tracks. The relevant track parameters i.e., momentum, direction and charge are reconstructed and analyzed. This paper discusses the design of the prototype detector, its geometry simulation by Geant4, and the detector response with the cosmic ray muons. Finally we show the resolution of reconstructed momenta and also the charge identification efficiency of $\mu^+$ and $\mu^-$ events in the magnetized ICAL.
0908.0851v1
2009-08-11
Large single crystal growth of BaFe1.87Co0.13As2 using a nucleation pole
Co-doped iron arsenic single crystal of BaFe1.87Co0.13As2 with dimension up to 20 x 10 x 2 mm3 were grown by a nucleation pole: an alumina stick served as nucleation center during growth. The high quality of crystalline was illustrated by the measurements of neutron rocking curve and X-ray diffraction pattern. A very sharp superconducting transition temperature Tc~25 K was revealed by both resistivity and susceptibility measurements. A nearly 100% shielding fraction and bulk nature of the superconductivity for the single crystal were confirmed using magnetic susceptibility data.
0908.1486v2
2009-09-07
Evidence of Strong Electron Correlations in Gamma-Iron
Single-particle excitation spectra of gamma-Fe in the paramagnetic state have been investigated by means of the first-principles dynamical coherent potential approximation theory which has recently been developed. It is found that the central peak in the density of states consisting of the t2g bands is destroyed by electron correlations, and the Mott-Hubbard type correlated bands appear. The results indicate that the gamma-Fe can behave as correlated electrons at high temperatures.
0909.1122v1
2009-09-07
The theory of photorefractive resonance for localized beams in two-carrier photorefractive systems
This paper extends the existing theory of two carrier photorefractivity resonance, which is generally applied to Iron doped Indium Phosphide (InP:Fe), to the case of low non-harmonic illumination. The space charge field profile is computed, and the variations of its amplitude, width and position are determined as functions of the background intensity. The effect of photorefractive resonance on these quantities is evidenced, contributing to the understanding of published experimental results in InP:Fe.
0909.1217v1
2009-09-16
Intrinsic ferromagnetic impurity phases in SmFeAsO1-xFx detected by muSR
We report about muSR measurements on SmFeAsO1-xFx which helped us to identify the signature of diluted ferromagnetic inclusions, ubiquitous in the iron pnictides. These impurities are characterized by a Curie temperature close to room temperature and they seem responsible for a non negligible magnetic relaxation of the implanted muons, that should not be confused with intrinsic pnictide properties.
0909.3004v1
2009-10-06
Superconductivity Near a Quantum Critical Point in Ba(Fe,Co)2As2
We will examine the possible link between spin fluctuations and the superconducting mechanism in the iron-based high temperature superconductor Ba(Fe,Co)2As2 based on NMR and high pressure transport measurements.
0910.1071v2
2009-10-08
Resonant inelastic x-ray scattering in single-crystal superconducting PrFeAsO0.7
Resonant inelastic x-ray scattering (RIXS) spectra at the Fe K-edge were measured for a single crystal of the iron oxypnictide superconductor PrFeAsO0.7 (Tc=42 K). They disclose a weak, broad feature centered around 4.5 eV energy loss, which is slightly resonantly enhanced when the incident energy is tuned in the vicinity of the 4p white line. We tentatively ascribe it to the charge-transfer excitation between As 4p and Fe 3d.
0910.1423v1
2009-10-08
The Puzzling Frequencies of CEMP and NEMP Stars
We present the results of binary population simulations of carbon- and nitrogen-enhanced metal-poor (CEMP and NEMP) stars. We show that the observed paucity of very nitrogen-rich stars puts strong constraints on possible modifications of the initial mass function at low metallicity.
0910.1489v1
2009-10-19
Fe-peak element abundances in disk and halo stars
At present none of Galactic chemical evolution (GCE) models provides a self-consistent description of observed trends for all iron-peak elements with metallicity simultaneously. The question is whether the discrepancy is due to deficiencies of GCE models, such as stellar yields, or due to erroneous spectroscopically-determined abundances of these elements in metal-poor stars. The present work aims at a critical reevaluation of the abundance trends for several odd and even-Z Fe-peak elements, which are important for understanding explosive nucleosynthesis in supernovae.
0910.3689v1
2009-10-20
$α$-FeSe as an orbital-selective incoherent metal: An LDA+DMFT study
$\alpha$-FeSe, a prototype iron-chalcogenide superconductor, shows clear signatures of a strange incoherent normal state. Motivated thereby, we use LDA+DMFT to show how strong multi-band correlations generate a low-energy pseudogap in the normal state, giving an incoherent metal in very good semi-quantitative agreement with observations. We interpret our results in terms of $\alpha$-FeSe being close to Mottness. A wide range of anomalous responses in the "normal" state are consistently explained, lending strong support for this view. Implications for superconductivity arising from such an anomalous state are touched upon.
0910.3828v1
2009-10-21
Surface-angle dependence of the tunneling spectroscopy in iron-based superconductors: sign-reversing s-wave scenarios
We discuss the surface Andreev bound states in Fe-based superconductors with the use of an effective five-band model and investigate the surface-angle dependence of the tunneling spectroscopy by a quasiclassical approach for an isotropic and an anisotropic /pm s-wave gap superconductivity. We show that information on the normal state is important for the Andreev bound state and its peak positions do not depend on the gap amplitude anisotropy.
0910.4040v1
2009-12-02
Evolution of two-gap behavior of the superconductor FeSe_1-x
The superfluid density, \rho_s, of the iron chalcogenide superconductor, FeSe_1-x, was studied as a function of pressure by means of muon-spin rotation. The zero-temperature value of \rho_s increases with increasing transition temperature T_c (increasing pressure) following the tendency observed for various Fe-based and cuprate superconductors. The analysis of \rho_s(T) within the two-gap scheme reveals that the effect on both, T_c and \rho_s(0), is entirely determined by the band(s) where the large superconducting gap develops, while the band(s) with the small gap become practically unaffected.
0912.0471v1
2009-12-10
Capillary force-induced structural instability in liquid infiltrated elastic circular tubes
The capillary-induced structural instability of an elastic circular tube partially filled by a liquid is studied by combining theoretical analysis and molecular dynamics simulations. The analysis shows that, associated with the instability, there is a well-defined length scale (elasto-capillary length), which exhibits a scaling relationship with the characteristic length of the tube, regardless of the interaction details. We validate this scaling relationship for a carbon nanotube partially filled by liquid iron. The capillary-induced structural transformation could have potential applications for nano-devices.
0912.1894v1
2009-12-22
Superconductivity Induced in Iron Telluride Films by Low Temperature Oxygen Incorporation
We report superconductivity induced in films of the non-superconducting, antiferromagnetic parent material FeTe by low temperature oxygen incorporation in a reversible manner. X-ray absorption shows that oxygen doping changes the nominal Fe valence state from 2+ in the non-superconducting state to mainly 3+ in the superconducting state. Thus superconductivity in O doped FeTe occurs in a quite different charge and strain state than the more common FeTe$_{1-x}$Se$_x$. This work also suggests a convenient path for conducting doping experiments in-situ with many measurement techniques.
0912.4539v2
2010-01-07
Genesis of coexisting itinerant and localized electrons in Iron Pnictides
We show how the general features of the electronic structure of the Fe-based high-Tc superconductors are a natural setting for a selective localization of the conduction electrons to arise. Slave-spin and Dynamical mean-field calculations support this picture and allow for a comparison of the magnetic properties with experiments.
1001.1098v1
2010-01-07
Calculated Cleavage Behavior and Surface States of LaOFeAs
The layered structure of the iron based superconductors gives rise to a more or less pronounced two-dimensionality of their electronic structure, most pronounced in LaOFeAs. A consequence are distinct surface states to be expected to influence any surface sensitive experimental probe. In this work a detailed density functional analysis of the cleavage behavior and the surface electronic structure of LaOFeAs is presented. The surface states are obtained to form two-dimensional bands with their own Fermi surfaces markedly different from the bulk electronic structure.
1001.1127v1
2010-01-19
Superconductivity at 33 K in "111" single crystals at ambient pressure
We have successfully grown single crystalline NaFeAs with cobalt or phosphor doping. Bulk superconductivity occurs in NaFe$_{0.95}$Co$_{0.05}$As at 19 K while much higher transition temperature is observed in NaFeAs$_{0.8}$P$_{0.2}$, in which the Tc of 33 K is even higher than the highest value realized by applying pressure in NaFeAs and all other isoelectronic element substituted samples. We discuss these behaviours by comparison with 122 and 1111 systems. We hope that our findings will help improve our understanding of iron-based superconductivity.
1001.3311v2
2010-02-05
High resolution Compton scattering as a Probe of the Fermi surface in the Iron-based superconductor $LaO_{1-x}F_xFeAs$
We have carried out first principles all-electron calculations of the (001)-projected 2D electron momentum density and the directional Compton profiles along the [100], [001] and [110] directions in the Fe-based superconductor LaOFeAs within the framework of the local density approximation. We identify Fermi surface features in the 2D electron momentum density and the directional Compton profiles, and discuss issues related to the observation of these features via Compton scattering experiments.
1002.1072v1
2010-02-10
The heavily polluted atmosphere of the DAZ white dwarf GALEX J193156.8+011745
We report on the discovery of a new heavily polluted white dwarf. The DAZ white dwarf GALEX J193156.8+011745 was identified in a joint GALEX/GSC survey of ultraviolet-excess objects. Optical spectra obtained at ESO NTT show strong absorption lines of magnesium and silicon and a detailed abundance analysis based on VLT-Kueyen UVES spectra reveal super-solar abundances of silicon and magnesium, and near-solar abundances of oxygen, calcium, and iron. The overall abundance pattern bears the signature of ongoing accretion onto the white dwarf atmosphere. The infrared spectral energy distribution shows an excess in the H and K bands likely associated with the accretion source.
1002.2069v1
2010-02-12
Iron isotope effect on the superconducting transition temperature and the crystal structure of FeSe_1-x
The Fe isotope effect (Fe-IE) on the transition temperature T_c and the crystal structure was studied in the Fe chalcogenide superconductor FeSe_1-x by means of magnetization and neutron powder diffraction (NPD). The substitution of natural Fe (containing \simeq 92% of ^{56}Fe) by its lighter ^{54}Fe isotope leads to a shift of T_c of 0.22(5)K corresponding to an Fe-IE exponent of \alpha_Fe=0.81(15). Simultaneously, a small structural change with isotope substitution is observed by NDP which may contribute to the total Fe isotope shift of T_c.
1002.2510v2
2010-02-26
Comment on "Nonmagnetic Impurity Resonances as a Signature of Sign-Reversal Pairing in Fe-As-Based Superconductors"
In a recent Letter [PRL 103, 186402 (2009)], the energy band structure of Fe-As-based superconductors is fitted with a tight-binding model with two Fe ions per unit cell and two degenerate xz and yz orbitals per Fe ion. The author claims that the proposed model, which differs markedly from a model previously used by other authors for the same two orbitals in the same compounds, possesses the symmetry required to describe the Fe-As planes in iron-pnictide superconductors. In this comment we argue that this is not the case.
1002.4939v1
2010-03-03
Temperature - pressure phase diagram of the superconducting iron pnictide LiFeP
Electrical-resistivity and magnetic-susceptibility measurements under hydrostatic pressure up to p = 2.75 GPa have been performed on superconducting LiFeP. A broad superconducting (SC) region exists in the temperature - pressure (T-p) phase diagram. No indications for a spin-density-wave transition have been found, but an enhanced resistivity coefficient at low pressures hints at the presence of magnetic fluctuations. Our results show that the superconducting state in LiFeP is more robust than in the isostructural and isoelectronic LiFeAs. We suggest that this finding is related to the nearly regular [FeP_4] tetrahedron in LiFeP.
1003.0785v1
2010-03-05
Theoretical evidence for strong correlations and incoherent metallic state in FeSe
The role of electronic Coulomb correlations in iron-based superconductors is an important open question. We provide theoretical evidence for strong correlation effects in the FeSe compound, based on dynamical mean field calculations. A lower Hubbard band is found in the spectral properties. Moreover, together with significant orbital-dependent mass enhancements, we find that the normal state is a bad metal over an extended temperature range, implying a non-Fermi liquid. Predictions for angle-resolved photoemission spectroscopy are made.
1003.1286v2
2010-03-09
Implementation of the SU(2) Hamiltonian Symmetry for the DMRG Algorithm
In the Density Matrix Renormalization Group (DMRG) algorithm, Hamiltonian symmetries play an important role. Using symmetries, the matrix representation of the Hamiltonian can be blocked. Diagonalizing each matrix block is more efficient than diagonalizing the original matrix. This paper explains how the the DMRG++ code has been extended to handle the non-local SU(2) symmetry in a model independent way. Improvements in CPU times compared to runs with only local symmetries are discussed for the one-orbital Hubbard model, and for a two-orbital Hubbard model for iron-based superconductors. The computational bottleneck of the algorithm and the use of shared memory parallelization are also addressed.
1003.1919v1
2010-03-19
Non-equilibrium current and noise in inelastic tunneling through a magnetic atom
In a recent experiment, Hirjibehedin {\it et al.} [Science {\bf 317}, 1199 (2007)] performed inelastic tunneling spectroscopy of a single iron atom absorbed on a nonmagnetic substrate. The observed steps in the differential conductance marked the spin excitation energies. In this Letter, we explain observed nonmonotonicities in the differential conductance by a nonequilibrium population of the atom spin states. Furthermore, we predict super-Poissonian current noise due to this nonequilibrium situation. By introducing an anisotropic relaxation channel we are also able to explain the remarkable absence of nonequilibrium features at certain conductance steps.
1003.3794v2
2010-04-05
Magnetic vortex as a ground state for micron-scale antiferromagnetic samples
Here we consider micron-sized samples with any axisymmetric body shape and made with a canted antiferromagnet, like hematite or iron borate. We find that its ground state can be a magnetic vortex with a topologically non-trivial distribution of the sublattice magnetization $\vec{l}$ and planar coreless vortex-like structure for the net magnetization $\vec{M}$. For antiferromagnetic samples in the vortex state, in addition to low-frequency modes, we find high-frequency modes with frequencies over the range of hundreds of gigahertz, including a mode localized in a region of radius $\sim$ 30--40 nm near the vortex core.
1004.0606v1
2010-05-11
Comment on "Nematic Electronic Structure in the "Parent" State of the Iron-Based Superconductor Ca(Fe1-xCox)2As2"
Chuang et al (Reports, 8th of January 2010, p. 181)1 report quasiparticle interference (QPI) imaging that shows pronounced C2 asymmetry. They interpreted this result as indication of an electronic nematic phase with an electron band dispersive only along the b-axis of this orthorhombic material. We argue that this asymmetry is consistent with the underlying long range magnetic order and that LDA electronic structure provides a better description of the QPI images than the 1D band structure conjectured by Chuang et al.
1005.1761v1
2010-06-09
Interaction of iron clusters (Fe_n; n <= 6) with a divacancy in graphene
In this work, we have studied the chemical and magnetic interactions of Fe_n; n <= 6, clusters with a divacancy site in a graphene sheet by ab-initio density functional calculations. Our results show significant chemical interactions between the cluster and graphene. As a result, a complex distribution of magnetic moments appear on the distorted Fe clusters in presence of graphene and results in a lower average magnetic moments compared to the free clusters. The presence of cluster also prevents the formation of 5-8-5 ringed structure known to exhibit in a graphene sheet having a divacancy defect. The clusters induce electronic states primarily of d-character near the Fermi level.
1006.1910v1
2010-06-24
Magnetic Properties of Ab initio Model for Iron-Based Superconductors LaFeAsO
By using variational Monte Carlo method, we examine an effective low-energy model for LaFeAsO derived from an ab initio downfolding scheme. We show that quantum and many-body fluctuations near a quantum critical point largely reduce the antiferromagnetic (AF) ordered moment and the model not only quantitatively reproduces the small ordered moment in LaFeAsO, but also explains the diverse dependence on LaFePO, BaFe2As2 and FeTe. We also find that LaFeAsO is under large orbital fluctuations, sandwiched by the AF Mott insulator and weakly correlated metals. The orbital fluctuations and Dirac-cone dispersion hold keys for the diverse magnetic properties.
1006.4812v1
2010-07-09
UHECRs from magnetic reconnection in relativistic jets
Ultra-high energy cosmic rays (UHECRs) may be produced in active galactic nuclei (AGN) or gamma-ray burst (GRB) jets. I argue that magnetic reconnection in jets can accelerate UHECRs rather independently of physical processes in the magnetic dissipation region. First order Fermi acceleration can efficiently take place in the region where the unreconnected (upstream) magnetized fluid converges into the reconnection layer. I find that protons can reach energies up to E~10^{20} eV in GRB and powerful AGN jets while iron nuclei can reach similar energies in AGN jets of more moderate luminosity.
1007.1522v2
2010-07-20
First-principles studies on electrical resistivity of iron under pressure
We investigate the temperature and pressure dependences of the electrical resistivity for bcc and hcp Fe using the low-order variational approximation and theoretical transport spectral functions calculated from first principles linear response linear-muffin-tin-orbital method in the generalized-gradient approximation. The calculated values are in close agreement with available experimental data, and show strong increase with temperature and decrease with pressure. We also discuss the behavior of the electrical resistivity for the bcc -> hcp phase transition.
1007.3423v1
2010-07-26
Ab initio Low-Dimensional Physics Opened Up by Dimensional Downfolding: Application to LaFeAsO
An ab initio downfolding method is formulated to construct low-dimensional models for correlated electrons. In addition to the band downfolding by constrained random phase approximation formulated for 3D models, screening away from the target layer (chain) is further involved. Eliminating the off-target degrees of freedom, namely, dimensional downfolding yields ab initio low-dimensional models. The method is applied to derive a 2D model for a layered superconductor LaFeAsO, where the interlayer screening crucially makes the effective interaction short ranged and reduces the onsite Coulomb interactions by 10-20 \% from the 3D model for the 5 iron-3d orbitals.
1007.4429v1
2010-08-07
Superconductivity in SrFe2As2 with Pt Doping
We have synthesized polycrystalline samples of Pt-substituted SrFe2As2 and measured the temperature dependence of magnetization and electrical resistivity. We have observed the superconducting transition at Tc = 17 K with the maximum shielding volume fraction at x = 0.125 in Sr(Fe1-xPtx)2As2. It is found that the maximum Tc depends on the substituted element, so it is important to substitute various elements to explore new iron-based superconductors with higher Tc.
1008.1297v1
2010-08-16
Quasiparticle interference of C2-symmetric surface states in LaOFeAs parent compound
We present scanning tunneling microscopy studies of the LaOFeAs parent compound of iron pnictide superconductors. Topographic imaging reveals two types of atomically flat surfaces, corresponding to the exposed LaO layer and FeAs layer respectively. On one type of surface, we observe strong standing wave patterns induced by quasiparticle interference of two-dimensional surface states. The distribution of scattering wavevectors exhibits pronounced two-fold symmetry, consistent with the nematic electronic structure found in the Ca(Fe1-xCox)2As2 parent state.
1008.2642v1
2010-08-23
Vortex states in hole-doped iron-pnictide superconductors
Based on a phenomenological model with competing spin-density-wave (SDW) and extended $s-$wave superconductivity, the vortex states in Ba$_{1-x}$K$_{x}$Fe$_{2}$As$_{2}$ are investigated by solving Bogoliubov-de Gennes equations. Our result for the optimally doped compound without induced SDW is in qualitative agreement with recent scanning tunneling microscopy experiment. We also propose that the main effect of the SDW on the vortex states is to reduce the intensity of the in-gap peak in the local density of states and transfer the spectral weight to form additional peaks outside the gap.
1008.3885v1
2010-08-31
Proximity of Iron Pnictide Superconductors to a Quantum Tricritical Point
We determine the nature of the magnetic quantum critical point in the doped LaFeAsO using a set of constrained density functional calculations that provide ab initio coefficients for a Landau order parameter analysis. The system turns out to be remarkably close to a quantum tricritical point, where the nature of the phase transition changes from first to second order. We compare with the effective field theory and discuss the experimental consequences.
1009.0009v1
2010-09-16
Consistency of neutrino DIS and the present parton distribution functions
We study the nuclear effects in the neutrino\anti-neutrino-nucleon deep inelastic scattering (DIS) by comparing the NuTeV, CDHSW, and CHORUS cross-sections from Iron and Lead targets to the predictions derived from the latest parton distribution functions (PDFs). The nuclear modifications found seem to display agreement with those in charged lepton DIS. Our study thus lends support to the consistency of employing neutrino data in global fits of PDFs.
1009.3143v1
2010-09-26
Spin dependent electron-phonon interaction in SmFeAsO by low-temperature Raman spectroscopy
The interplay between spin dynamics and lattice vibration has been suggested as an important part of the puzzle of high-temperature superconductivity. Here we report the strong interaction between spin fluctuation and phonon in SmFeAsO, a parent compound of the iron arsenide family of superconductors, revealed by low-temperature Raman spectroscopy. Anomalous zone-boundary-phonon Raman scattering from spin superstructure was observed at temperatures below the antiferromagnetic ordering point, which offers compelling evidence on spin dependent electron-phonon coupling in pnictides.
1009.5050v2
2010-10-06
The Relation Between Charged Particles and Muons With Threshold Energy 1 GeV in Extensive Air Showers Registered at the Yakutsk EAS Array
Characteristics of the muon component in EAS are analyzed together with their fluctuations. The aim of this analysis -- a comparison of experimental data with computational results obtained within frameworks of various hadron interaction models for protons and iron nuclei and an estimation of cosmic ray mass composition in the ultra-high energy region.
1010.1182v1
2010-10-19
Coexistence of Superconductivity and Charge Density Wave in SrPt2As2
SrPt2As2 is a novel arsenide superconductor, which crystallizes in the CaBe2Ge2-type structure as a different polymorphic form of the ThCr2Si2-type structure. SrPt2As2 exhibits a charge-density-wave (CDW) ordering at about 470 K and enters into a superconducting state at Tc = 5.2 K. The coexistence of superconductivity and CDW refers to Peierls instability with a moderately strong electron-phonon interaction. Thus SrPt2As2 can be viewed as a nonmagnetic analog of iron-based superconductors, such as doped BaFe2As2, in which superconductivity emerges in close proximity to spin-density-wave ordering.
1010.3950v2
2010-11-03
The role of correlations in the high-pressure phase of FeSe
We present a systematic study of the high-pressure FeSe phase performed by means of the first-principle electronic structure calculations. Basing on available experimental information about the unit cell geometry we calculate the band structure and characterize the related properties during their pressure driven evolution. The electronic structure including the hybrid functional B3LYP or the Hubbard parameter U for the iron d states lead to the correct semiconducting ground state for the hexagonal stoichiometric FeSe within the broad pressure range (up to 30 GPa).
1011.0848v1
2010-11-11
Half-metallic Antiferromagnet Sheets in Sr4M2O6CrFeAs2 (M=Sc, Cr) and Their Bulk Form
We reveal by first-principles calculations that in iron pnictides Sr4M2O6CrFeAs2 (M=Sc, Cr) the two-dimensional CrFeAs2 layers exhibit a robust band structure of half-metallic antiferromagnet (HMAFM). Due to the thick blocking layer, the interlayer coupling is vanishingly small and thus the conductive channels in individual layers may take the alternative spin direction randomly. We show that, since the spin magnetizations of Fe and Cr are different in a ferromagnetic state, applying a strong magnetic field and ramping it down gradually can align the spin direction of conductive channel of all HMAFM layers, which restores the bulk HMAFM.
1011.2576v2
2010-11-21
Magnetoelectric studies on polycrystalline FeVO4
We report the magnetic, dielectric and ferroelectric properties of polycrystalline iron vanadate(FeVO4), which has been recently found to exhibit multiferroicity in low temperature with noncollinear magnetic orderings. The influence of external magnetic field up to 9T on these properties is systematically investigated. Besides the suppressing effect on the original ferroelectric transition, the strong magnetic field seems to induce a secondary ferroelectric transition at a slight lower temperature. And the corresponding magnetization measurement reveals a field-induced metamagnetic transition at low temperatures. Our results will help to clarify the complex magnetic structure and microscopic mechanism of multiferroicity in FeVO4.
1011.4677v2
2010-11-30
Enhanced superconducting properties in FeCr$_x$Se
We report an enhancement of superconducting transition temperature ($T_{\rm c}$) when Chromium (Cr) is substituted in excess at the Iron (Fe) site (FeCr$_x$Se, $x=$0.01, 0.02 and 0.03). There is a corresponding increase in the superconducting volume fraction with $T_{\rm c}$ attaining a value of 11.2 K on 2 $%$ Cr substitution when compared to a $T_{\rm c}$ of 8.5 K for the conventional tetragonal Fe-excess sample Fe$_{1+x}$Se. The results point to the role of chemical pressure (introduced via ionic size variation at the Fe site upon Cr substitution in excess) on superconducting properties.
1011.6519v1
2010-12-13
Abundance analysis of DAZ white dwarfs
We present an abundance analysis of a sample of 33 hydrogen-rich (DA) white dwarfs. We have used archival high-resolution spectra to measure abundances of calcium, magnesium and iron in a set of 30 objects. In addition, we present preliminary calcium abundances in three new white dwarfs based on low-dispersion spectra. We investigate some abundance ratios (Mg/Ca, Fe/Ca) that may help uncover the composition of the accretion source.
1012.2639v1
2010-12-14
Superconductivity in the iron selenide KxFe2Se2 (0 <= x <= 1)
We report the superconductivity at above 30 K in a new FeSe-layer compound K0.8Fe2Se2 (nominal composition) achieved by metal K intercalating in between FeSe layers. It is isostructural to BaFe2As2 and possesses the highest Tc for FeSe-layer materials so far under ambient pressure. Hall effect indicates the carriers are dominated by electron in this superconductor. We confirm that the observed superconductivity at above 30 K is due to this new FeSe-based 122 phase. Our results demonstrate that FeSe-layer materials are really remarkable superconductors via structure and carrier modulation.
1012.2924v1
2011-01-05
Variety of c-axis collective excitations in layered multigap superconductors
We present a dynamical theory for the phase differences along a stacked direction of intrinsic Josephson junctions (IJJ's) in layered multigap superconductors, motivated by the discovery of highly-anisotropic iron-based superconductors with thick perovskite-type blocking layers. The dynamical equations describing AC and DC intrinsic Josephson effects peculiar to multigap IJJ's are derived, and collective Leggett mode excitations in addition to the Josephson plasma established in single-gap IJJ's are predicted. The dispersion relations of their collective modes are explicitly displayed, and the remarkable peculiarity of the Leggett mode is demonstrated.
1101.0886v2
2011-01-17
Upper critical field of the 122-type iron pnictide superconductors
The upper critical fields ($H_{c2}$) of the single crystals $\rm(Sr,Na)Fe_2As_2$ and $\rm Ba_{0.55}K_{0.45}Fe_2As_2$ were determined by means of measuring the electrical resistivity, $ \rho_{xx}(\mu_0H)$, using the facilities of pulsed magnetic field at Los Alamos. In general, these compounds possess a very large upper critical field ($H_{c2}(0)$) with a weak anisotropic effect. The detailed curvature of $H_{c2}(T_c)$ may depend on the magnetic field orientation and the sample compositions. We argue that such a difference mainly results from the multi-band effect, which might be modified via doping.
1101.3150v1
2011-01-20
Ab initio Random Structure Searching
It is essential to know the arrangement of the atoms in a material in order to compute and understand its properties. Searching for stable structures of materials using first-principles electronic structure methods, such as density functional theory (DFT), is a rapidly growing field. Here we describe our simple, elegant and powerful approach to searching for structures with DFT which we call ab initio random structure searching (AIRSS). Applications to discovering structures of solids, point defects, surfaces, and clusters are reviewed. New results for iron clusters on graphene, silicon clusters, polymeric nitrogen, hydrogen-rich lithium hydrides, and boron are presented.
1101.3987v1
2011-02-04
Anisotropy in transport and magnetic properties of K0.64Fe1.44Se2
We report a study of anisotropy in transport and magnetic properties of K0.64Fe1.44Se2.00 single crystals. The anisotropy in resistivity is up to one order of magnitude between 1.8 K and 300 K. Magnetic susceptibility exhibits weak temperature dependence in the normal state with decrease in temperature with no significant anomalies. The lower critical fields Hc1 of K0.64Fe1.44Se2.00 are only about 3 Oe and the anisotropy of Hc1,c/Hc1,ab is about 1. The critical currents for H||ab and H||c are about 10-10^3 A/cm2, smaller than in iron pnictides and in FeTe_{1-x}Se_{x} and nearly isotropic.
1102.1010v3
2011-02-05
Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging
The decomposition of Fe-Cr solid solutions during thermal aging is modeled by Atomistic Kinetic Monte Carlo (AKMC) simulations, using a rigid lattice approximation with composition dependant pair interactions that can reproduce the change of sign of the mixing energy with the alloy composition. The interactions are fitted on ab initio mixing energies and on the experimental phase diagram, as well as on the migration barriers in iron and chromium rich phases. Simulated kinetics is compared with 3D atom probe and neutron scattering experiments.
1102.1091v1
2011-02-08
Coupling of replicate order-parameters in incommensurate multiferroics
The specific properties of incommensurate multiferroic phases resulting from the coupling of order-parameter replicates are worked out using the illustrative example of iron vanadate. The dephasing between the order-parameter copies induces an additional broken symmetry phase corresponding to the lowest symmetry of the system and varies critically at the transition to the multiferroic phase. It reflects the temperature dependence of the angle between paired spins in the antiferromagnetic spiral structure. Expressing the transition order-parameters in terms of spin-density waves allows showing that isotropic exchange interactions contribute to the stabilization of the ferroelectric phase.
1102.1575v1
2011-02-10
Thermoelectric studies of KxFe2-ySe2: weakly correlated superconductor
We report thermal transport measurement of KxFe2-ySe2 superconducting single crystal. Significant peak anomaly in thermal conductivity is observed at nearly TC/2 indicating a large phonon mean-free-path in the superconducting state. The zero-temperature extrapolated thermoelectric power is smaller than the value in typical strongly correlated superconductors, implying large normalized Fermi temperature. In contrast to other iron superconductors, thermoelectric power in our sample does not exhibit significant anomalies. These findings indicate that KxFe2-ySe2 is a weakly or intermediately correlated superconductor without significant Fermi surface nesting.
1102.2217v2
2011-02-17
Superconductivity on the verge of Mott localization in ternary iron sulfide
We report the results of electrical and magnetic properties on two new compounds, K0.8Fe1.7S2 and K0.8Fe1.7SeS, both having similar structures to newly discovered superconducting K0.8Fe1.7Se2. K0.8Fe1.7S2 exhibits a semiconductor-like electrical property and undergoes an anti-ferromagnetic transition at about 260 K. Upon replacing half of S with Se, K0.8Fe1.7SSe becomes a superconductor at 25 K, implying the superconductivity evolves from a Mott AFM state in Fe-Se based superconductors.
1102.3505v1
2011-02-17
Quenching of superconductivity by Co doping in K0.8Fe2Se2
We synthesized a series of K0.8Fe2-xCoxSe2 samples with nominal compositions 0\leq x\leq 0.035 and investigated their physical properties. The results show that the superconductivity in K0.8Fe2-xCoxSe2 is quenched down to 5 K by 0.5 at. % Co doping, the fastest quenching rate ever-reported. The role played here by Co is in contrast with the one in FeAs based superconductors where Co usually induces superconductivity from parent compounds. Such a rapid quenching favors a localized 3d model against the itinerant one for iron pnictide superconductors.
1102.3506v1
2011-03-29
Spin waves in the block checkerboard antiferromagnetic phase
Motivated by the discovery of new family 122 iron-based superconductors, we present the theoretical results on the ground state phase diagram, spin wave and dynamic structure factor of the extended $J_{1}-J_{2}$ Heisenberg model. In the reasonable physical parameter region of $K_{2}Fe_{4}Se_{5}$, we fi{}nd the block checkerboard antiferromagnetic order phase is stable. There are two acoustic branches and six optical branches spin wave in the block checkerboard antiferromagnetic phase, which has analytic expression in the high symmetry points. To compare the further neutron scattering experiments, we discuss the saddlepoint structure in the magnetic excitation spectrum and calculate the predicted inelastic neutron scattering pattern based on linear spin wave theory.
1103.5521v1
2011-04-08
Materials and mechanisms of hole superconductivity
The theory of hole superconductivity proposes that there is a single mechanism of superconductivity that applies to all superconducting materials. This paper discusses several material families where superconductivity occurs and how they can be understood within this theory. Materials discussed include the elements, transition metal alloys, high $T_c$ cuprates both hole-doped and electron-doped, $MgB_2$, iron pnictides, doped semiconductors, and elements under high pressure.
1104.1624v2
2011-05-02
Impeding effect of cerium on the growth of helium bubble in iron
Our first-principles density functional theory calculations suggest that the rare earth element, Ce, has a stronger attraction (-1.31eV) to He than He-He (-1.18eV) in bcc Fe. Consequently, the mobile He atoms could be pinned to Ce, and hence a reduced merging of He clusters. Moreover, we find that the segregated Ce layer at the He bubble surface presents an energy barrier of 0.33 eV to the upcoming He atom and thus slows down the bubble growth.
1105.0458v1
2011-05-09
Status Update for the MINER$ν$A Experiment
MINER$\nu$A (Main INjEctoR $\nu$-A) is a few-GeV neutrino cross section experiment that began taking data in the FNAL NuMI beam-line in the fall of 2009. MINER$\nu$A employs a fine-grained detector capable of complete kinematic characterization of neutrino interactions. The detector consists of an approximately 6.5 ton active target region composed of plastic scintillator with additional carbon, iron, and lead targets upstream of the active region. The experiment will provide important inputs for neutrino oscillation searches and a pure weak probe of nuclear structure. Here we offer a set of initial kinematic distributions of interest and provide a general status update.
1105.1698v1
2011-06-16
Evidence of defect-induced ferromagnetism in ZnFe$_{2}$O$_{4}$ thin films
X-ray absorption near-edge and grazing incidence X-ray fluorescence spectroscopy are employed to investigate the electronic structure of ZnFe$_{2}$O$_{4}$ thin films. The spectroscopy techniques are used to determine the non-equilibrium cation site occupancy as a function of depth and oxygen pressure during deposition and its effects on the magnetic properties. It is found that low deposition pressures below 10$^{-3}$ mbar cause iron superoccupation of tetrahedral sites without Zn$^{2+}$ inversion, resulting in an ordered magnetic phase with high room temperature magnetic moment.
1106.3128v1
2011-06-27
Charge redistribution at the antiferromagnetic phase transition in SrFeAsF compound
The relationship between spin, electron, and crystal structure has been one of the foremost issues in understanding the superconducting mechanism since the discovery of iron-based high temperature superconductors. Here, we report M\"ossbauer and first-principles calculations studies of the parent compound SrFeAsF with the largest temperature gap ($\sim$50\,K) between the structural and antiferromagnetic (AFM) transitions. Our results reveal that the structural transition has little effect on the electronic structure of the compound SrFeAsF while the development of the AFM order induces a redistribution of the charges near the Fermi level.
1106.5370v2
2011-07-18
Recent Measurements of Neutrino-Nucleus Quasi-Elastic Scattering
We present recent measurements of neutrino charged current quasi-elastic (CC QE) scattering, nu_mu + p -> mu- + n. Measurements of CC QE on carbon near 1 GeV by MiniBooNE and SciBooNE, as well as measurements on iron at 3 GeV by MINOS, disagree with current interaction models, while measurements at higher energies on carbon by NOMAD show excellent agreement with those same models.
1107.3400v1
2011-07-26
Nuclear structure in strong magnetic fields: nuclei in the crust of a magnetar
Covariant density functional theory is used to study the effect of strong magnetic fields, up to the limit predicted for neutron stars (for magnetars $B \approx10^{18}$G), on nuclear structure. All new terms in the equation of motion resulting from time reversal symmetry breaking by the magnetic field and the induced currents, as well as axial deformation, are taken into account in a self-consistent fashion. For nuclei in the iron region of the nuclear chart it is found that fields in the order of magnitude of $10^{17}$G significantly affect bulk properties like masses and radii.
1107.5243v1
2011-07-29
Neutrino nucleus reactions at high energies within the GiBUU model
The GiBUU model, which implements all reaction channels relevant at medium neutrino energy, is used to investigate the neutrino and antineutrino scattering on iron. Results for integrated cross sections are compared with NOMAD and MINOS data. It is shown, that final state interaction can noticeably change the spectra of the outgoing hadrons. Predictions for the Miner$\nu$a experiment are made for pion spectra, averaged over NuMI neutrino and antineutrino fluxes.
1107.5944v1
2011-08-04
Storage-ring ionization and recombination experiments with multiply charged ions relevant to astrophysical and fusion plasmas
Past and ongoing research activities at the Heidelberg heavy-ion storage-ring TSR are reviewed which aim at providing accurate absolute rate coefficients and cross sections of atomic collision processes for applications in astrophysics and magnetically confined fusion. In particular, dielectronic recombination and electron impact ionization of iron ions are discussed as well as dielectronic recombination of tungsten ions.
1108.1073v1
2011-08-09
Magnetic resonance from the interplay of frustration and superconductivity
Motivated by the iron-based superconductors, we develop a self-consistent electronic theory for the itinerant spin excitations in the regime of coexistence of the antiferromagnetic stripe order with wavevector ${\bf Q}_{1} = (\pi,0)$ and $s^{+-}$ superconductivity. The onset of superconductivity leads to the appearance of a {\em magnetic} resonance near the wavevector ${\bf Q}_{2} = (0,\pi)$ where magnetic order is absent. This resonance is isotropic in spin space, unlike the excitations near ${\bf Q}_{1}$ where the magnetic Goldstone mode resides. We discuss several features which can be observed experimentally.
1108.2046v1
2011-08-17
The hyperfine properties of a hydrogenated Fe/V superlattice
: We study the effect of hydrogen on the electronic, magnetic and hyperfine structures of an iron-vanadium superlattice consisting of three Fe monolayers and nine V monolayers. The contact charge density ({\rho}), the contact hyperfine field (Bhf) and the electronic field gradient (EFG) at the Fe sites for different H locations and H fillings are calculated using the first principle full-potential linear-augmented-plane-wave (FP-LAPW) method . It is found that sizeable changes in the hyperfine properties are obtained only when H is in the interface region.
1108.3388v1
2011-08-22
Pressure effects on strained FeSe0.5Te0.5 thin films
The pressure effect on the resistivity and superconducting Tc of prestrained thin films of the iron chalcogenide superconductor FeSe0.5Te0.5 is studied. Films with different anion heights above the Fe layer showing different values of ambient pressure Tc's are compressed up to a pressure of 1.7 GPa. All films exhibit a significant increase of Tc with pressure. The results cannot solely be explained by a pressure-induced decrease of the anion height but other parameters have to be considered to explain the data for all films.
1108.4399v1
2011-08-23
Superconductivity and local non-centrosymmetricity in crystal lattices
Symmetry of the crystal lattice can be a determining factor for the structure of Cooper pairs in unconventional superconductors. In this study we extend the discussion of superconductivity in non-centrosymmetric materials to the case when inversion symmetry is missing locally, but is present on a global level. Concretely, we investigate the staggered non-centrosymmetricity within a regular sublattice structure, in some analogy to the discussion of superconductivity in antiferromagnetic systems. Three crystal structures are analyzed in detail as illustrative examples for the extended classification of Cooper-pairing channels. One of the cases may be relevant for the class of iron-pnictide superconductors.
1108.4694v1
2011-09-01
High-energy pseudogap in degenerate Hubbard model induced via Hund coupling
Hund coupling in the degenerate five-band Hubbard model near n=6 occupancy is shown to give rise to a significant depletion of spectral weight above the Fermi level. Calculations within dynamical mean field theory combined with exact diagonalization reveal that this pseudogap is associated with a collective mode in the self-energy caused by spin fluctuations. The pseudogap is remarkably stable over a wide range of Coulomb and exchange energies, but disappears for weak Hund coupling. The implications of this phenomenon for optical spectra of iron pnictides are discussed.
1109.0162v1
2011-09-05
Gutzwiller theory of band magnetism in LaOFeAs
We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle bands of LaOFeAs. The Fe3d--As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band Hubbard model. The full atomic interaction between the electrons in the iron orbitals is parameterized by the Hubbard interaction U and an average Hund's-rule interaction J. We reproduce the experimentally observed small ordered magnetic moment over a large region of (U,J) parameter space. The magnetically ordered phase is a stripe spin-density wave of quasi-particles.
1109.0929v1
2011-09-09
Theoretical Investigation of the Magnetic Order in FeAs
The magnetic structure of the iron monoarsenide FeAs is studied using first-principles calculations. We consider the collinear and non-collinear (spin-spiral wave) magnetic ordering and magnetic anisotropy. It is analitically shown that a magnetic triaxial anisotropy results in a sum of two spin-spiral waves with opposite directions of wave vectors and different spin amplitudes, so that the magnetic moments in two perpendicular directions do not equal each other.
1109.1924v1
2011-09-12
Spin-transfer mechanism for magnon-drag thermopower
We point out a relation between the dissipative spin-transfer-torque parameter $\beta$ and the contribution of magnon drag to the thermoelectric power in conducting ferromagnets. Using this result we estimate $\beta$ in iron at low temperatures, where magnon drag is believed to be the dominant contribution to the thermopower. Our results may be used to determine $\beta$ from magnon-drag-thermopower experiments, or, conversely, to infer the strength of magnon drag via experiments on spin transfer.
1109.2414v1
2011-09-13
Instability of vortex-antivortex interface in optimally-doped Ba(Fe_{1-x}Co_{x})_{2}As_{2}
We explore the flux front patterns during virgin penetration and after remagnetization in the iron-based superconductor Ba(Fe_{1-x}Co_{x})_{2}As_{2}. After remagnetization we observe an instability characterized by turbulent dynamics at the vortex-antivortex boundary. Associated with the turbulent flux boundary a band of excess current density is observed. The turbulence is contrasted with the instability observed in the cuprate superconductors. Our results suggest turbulent instability at the vortex-antivortex interface may be a common feature in all remagnetized type-II superconductors.
1109.2703v1
2011-09-22
The interaction of Fe thin layers between MgO(100)-MgO and MgO(100)-Ag surfaces
The atomic interaction and magnetic properties of ultrathin Fe films grown on cleaved and polished MgO(100) surfaces were studied by conversion electron M\"{o}ssbauer spectroscopy (CEMS) in broad temperature range. Fe with different layer thickness was deposited on MgO substrates. The layers were formed on polished and cleaved substrate surfaces at RT. The analysis of the spectra showed no Fe-O$^{2-}$ interaction in MgO/Fe interface. Iron layers showed different magnetic anisotropy depending on their thickness.
1109.4811v1
2011-09-22
Ironsilicide formation by high temperature codeposition of Fe-2Si with different thicknesses on Si (111)
Fe and 2Si were co-deposited on Si (111) surface at 853 K. The formation of silicides was investigated by Mossbauer spectroscopy and electron microscopy. Depending on the thickness of the deposited films different phases were formed. At low thickness, stable $\epsilon$-FeSi (B20) and metastable [CsCl]-Fe$_{1-x}$Si (B2) phases were observed. In the latter case, because of the presence of Fe vacancies in the lattice the local symmetry around the iron components was lower than cubic. At larger (12 nm) deposited thickness, stable $\beta$-FeSi$_2$ has been formed.
1109.4825v1
2011-09-22
Predicting dislocation climb: Classical modeling versus atomistic simulations
The classical modeling of dislocation climb based on a continuous description of vacancy diffusion is compared to recent atomistic simulations of dislocation climb in body-centered cubic iron under vacancy supersaturation [Phys. Rev. Lett. 105 095501 (2010)]. A quantitative agreement is obtained, showing the ability of the classical approach to describe dislocation climb. The analytical model is then used to extrapolate dislocation climb velocities to lower dislocation densities, in the range corresponding to experiments. This allows testing of the validity of the pure climb creep model proposed by Kabir et al. [Phys. Rev. Lett. 105 095501 (2010)].
1109.4905v1
2011-09-30
Stellar Parameters and Chemical Abundances of G Giants
We present basic stellar parameters of 99 late-type G giants based on high resolution spectra obtained by the High Dispersion Spectrograph attached to Subaru Telescope. These stars are targets of a Doppler survey program searching for extra-solar planets among evolved stars, with a metallicity of -0.8<[Fe/H]<+0.2. We also derived their abundances of 15 chemical elements, including four $\alpha$-elements (Mg, Si, Ca, Ti), three odd-Z light elements (Al, K, Sc), four iron peak elements (V, Cr, Fe, Ni), and four neutron-capture elements (Y, Ba, La, Eu). Kinematic properties reveal that most of the program stars belong to the thin disk.
1109.6742v1
2011-10-04
Neutrino nucleus reactions within the GiBUU model
The GiBUU model, which implements all reaction channels relevant at medium neutrino energy, is used to investigate the neutrino and antineutrino scattering on iron. Results for integrated cross sections are compared with NOMAD and MINOS data. It is shown, that final state interaction can noticeably change the spectra of the outgoing hadrons. Predictions for the Miner$\nu$a experiment are made for pion spectra, averaged over NuMI neutrino and antineutrino fluxes.
1110.0674v1
2011-11-01
Electronic band structure of ferro-pnictide superconductors from ARPES experiment
ARPES experiments on iron based superconductors show that the differences between the measured and calculated electronic band structures look insignificant but can be crucial for understanding of the mechanism of high temperature superconductivity. Here we focus on those differences for 111 and 122 compounds and discuss the observed correlation of the experimental band structure with the superconductivity.
1111.0288v1
2011-11-02
Electrochemical synthesis of iron-based superconductor FeSe films
The superconducting FeSe films were successfully fabricated using the electrochemical synthesis. The composition ratio of Fe and Se can be controlled by the electric potential and pH value. We found that the FeSe films deposited at the electric potential -1.75 V and pH 2.3 show the superconducting transition at 3.5 K. The establishment of this electrochemical synthesis technique will provide many advantages for application.
1111.0611v1
2011-11-18
Stripes and Superconductivity in Cuprates
Holes doped into the CuO2 planes of cuprate parent compounds frustrate the antiferromagnetic order. The development of spin and charge stripes provides a compromise between the competing magnetic and kinetic energies. Static stripe order has been observed only in certain particular compounds, but there are signatures which suggest that dynamic stripe correlations are common in the cuprates. Though stripe order is bad for superconducting phase coherence, stripes are compatible with strong pairing. Ironically, magnetic-field-induced stripe order appears to enhance the stability of superconducting order within the planes.
1111.4268v1
2012-01-13
Observation of multiple superconducting gaps in Fe1+yTe1-xSex via a nano-scale approach to point-contact spectroscopy
We report a distinct experimental approach to point-contact Andreev reflection spectroscopy with diagnostic capability via a unique design of nano-scale normal metal/superconductor devices with excellent thermo-mechanical stability, and have employed this method to unveil the existence of two superconducting energy gaps in iron chalcogenide Fe1+yTe1-xSex which is crucial for understanding its pairing mechanism. This work opens up new opportunities to study gap structures in superconductors and elemental excitations in solids.
1201.2881v2
2012-01-16
Odd-particle systems in the shell model Monte Carlo: circumventing a sign problem
We introduce a novel method within the shell model Monte Carlo approach to calculate the ground-state energy of a finite-size system with an odd number of particles by using the asymptotic behavior of the imaginary-time single-particle Green's functions. The method circumvents the sign problem that originates from the projection on an odd number of particles and has hampered direct application of the shell model Monte Carlo method to odd-particle systems. We apply this method to calculate pairing gaps of nuclei in the iron region. Our results are in good agreement with experimental pairing gaps.
1201.3341v1
2012-02-08
Role of spin-orbit coupling on the electronic structure and properties of SrPtAs
The effect of spin-orbit coupling on the electronic structure of the layered iron-free pnictide superconductor, SrPtAs, has been studied using the full potential linearized augmented plane wave method. The anisotropy in Fermi velocity, conductivity and plasma frequency stemming from the layered structure are found to be enhanced by spin-orbit coupling. The relationship between spin-orbit interaction and the lack of two-dimensional inversion in the PtAs layers is analyzed within a tight-binding Hamiltonian based on the first-principles calculations. Finally, the band structure suggests that electron doping could increase $T_c$.
1202.1604v1
2012-02-16
Comparison of EPOS and QGSJET-II in EAS Simulation using CORSIKA
In this work we compare the predictions of two representative hadronic interaction models, EPOS 1.99, and QGSJET II-03 with several extensive air showers (EAS) parameters for proton and iron primaries in the energy range $10^{17}$ - $10^{19} eV$ using CORSIKA-6990. The EAS parameters depth of shower maximum, shower size, size of muon shower, muon number distribution, electron number distribution,size of hadron shower, hadron energy sum, electron muon correlations, and, hadron energy spectra are studied in this paper.
1202.3661v4
2012-02-28
Finite Elements Magnetic Analysis of the CLIC MDI Region
Considering the current CLIC SiD detector design and the machine parameter L*, the final focus quadrupole QD0 will be placed inside the experiment itself. This configuration is very challenging from an integration point of view. Among several other aspects, the iron-dominated QD0 will need an active magnetic shielding to avoid undesired interactions with the magnetic field generated by the main solenoid of the detector. This shielding will be provided by a superconducting anti-solenoid, and this paper aims to describe the method used to design such device, the results obtained and the issues still to be solved.
1202.6334v1
2012-03-01
Magnetic and transport properties of iron-platinum arsenide Ca10(Pt4-δAs8)(Fe2-xPtxAs2)5 single crystal
We report superconducting properties of single crystalline Ca10(Pt4-{\delta}As8)(Fe2-xPtxAs2)5 by X-ray diffraction, magnetization, resistivity, and magneto-optical imaging measurements. The magnetization measurements reveal fish-tail hysteresis loop and relatively high critical current density Jc ~ 0.8\times105 A/cm2 at low temperatures. The exponential temperature dependence of Jc, which arises from nonlinear effective flux-creep activation energy, has been observed. Upper critical field determined by resistive transition shows a relatively large anisotropy. The magneto-optical images reveal homogenous current flow within the crystal.
1203.0099v1
2012-03-05
Breakdown of Chemical Scaling for Pt-Doped CaFe2As2
We report a breakdown of the scaling of the antiferromagnetic transition temperature T_N on chemical doping for Pt-doped CaFe2As2. The substitution of Pt is ineffective in the reduction of antiferromagnetic ordering as well as in inducing superconductivity in Ca(Fe1-xPtx)2As2. The Pt-doped CaFe2As2 that does not exhibit superconductivity will, however, provide us an ideal opportunity to elucidate the role of chemical doping in the occurrence of superconductivity in iron-based materials.
1203.0822v1
2012-03-07
Structural distortion as prerequisite for superconductivity in LiFeAs
The nonadiabatic Heisenberg model predicts a structural distortion in LiFeAs below a temperature higher than (or at least equal to) the superconducting transition temperature. Within this group-theoretical model, the reduction of the symmetry caused by the distortion is a prerequisite for the superconducting state in this compound and can be realized by a mere displacement of the iron atoms from their positions in the space group P4/nmm.
1203.1543v1
2012-03-29
Field-Induced Magnetostructural Transitions in Antiferromagnetic Fe1+yTe1-xSx
The transport and structural properties of Fe1+yTe1-xSx (x=0, 0.05, and 0.10) crystals were studied in pulsed magnetic fields up to 65 T. The application of high magnetic fields results in positive magnetoresistance effect with prominent hystereses in the antiferromagnetic state. Polarizing microscope images obtained at high magnetic fields showed simultaneous occurrence of structural transitions. These results indicate that magnetoelastic coupling is the origin of the bicollinear magnetic order in iron chalcogenides.
1203.6482v1
2012-04-12
Effective doping and suppression of Fermi surface reconstruction via Fe vacancy disorder in KxFe2-ySe2
We investigate the effect of disordered vacancies on the normal-state electronic structure of the newly discovered alkali-intercalated iron selenide superconductors. To this end we use a recently developed Wannier function based method to calculate from first principles the configuration-averaged spectral function <A(k,w)> of K0.8Fe1.6Se2 with disordered Fe and K vacancies. We find that the disorder can suppress the expected Fermi surface reconstruction without completely destroying the Fermi surface. More interestingly, the disorder effect raises the chemical potential significantly, giving enlarged electron pockets almost identical to highly doped KFe2Se2, without adding carriers to the system.
1204.2849v1
2012-05-04
Thermodynamic evidence for pressure-induced bulk superconductivity in the Fe-As pnictide superconductor CaFe2As2
We report specific-heat and resistivity experiments performed in parallel in a Bridgman-type of pressure cell in order to investigate the nature of pressure-induced superconductivity in the iron pnictide compound CaFe2As2. The presence of a pronounced specific-heat anomaly at Tc reveals a bulk nature of the superconducting state. The thermodynamic transition temperature differs dramatically from the onset of the resistive transition. Our data indicates that superconductivity occurs in the vicinity of a crystallographic phase transition. We discuss the discrepancy between the two methods as caused by strain-induced superconducting precursors formed above the bulk thermodynamic transition due to the vicinity of the structural instability.
1205.0874v1
2012-06-04
Microscopic origin of the linear temperature increase of the magnetic susceptibility of BaFe$_{2}$As$_{2}$
Employing a combination of \emph{ab initio} band structure theory and dynamical mean-field theory we explain the experimentally observed linear temperature increase of the magnetic susceptibility of the iron pnictide material BaFe$_{2}$As$_{2}$. The microscopic origin of this anomalous behaviour is traced to a sharp peak in the spectral function located approximately 100 meV below the Fermi level. This peak is due to the weak dispersion of two-dimensional bands associated with the layered crystal structure of pnictides.
1206.0569v2
2012-06-06
Modulations of the local pairing interaction near magnetic impurities in d-wave superconductors
The spin-fluctuation based pairing mechanism has proven successful in explaining the pairing symmetries due to Fermi surface nesting of both cuprates and iron-based materials. In this work, we study signatures of a spin-fluctuation mediated pairing at the local scale. Specifically, we focus on magnetic impurities and calculate both the local antiferromagnetism and the resulting modulated pairing interaction. The latter gives rise to distinct local enhancements of the superconducting gap in the immediate vicinity of the impurities. Our results show that Coulomb-driven pairing naturally leads to unusual superconducting gap modulations near disorder potentials.
1206.1129v1
2012-06-14
DFT Calculations as a Tool to Analyse Quadrupole Splittings of Spin Crossover Fe(II) complexes
Density functional methods have been applied to calculate the quadrupole splitting of a series of iron(II) spin crossover complexes. Experimental and calculated values are in reasonable agreement. In one case spin-orbit coupling is necessary to explain the very small quadrupole splitting value of 0.77 mm/s at 293 K for a high-spin isomer.
1206.3036v1
2012-06-18
Interpretation of Mössbauer spectra in the energy and time domain with neural networks
An artificial neural network for extracting reasonable and fast estimates of hyperfine parameters from M\"ossbauer spectra in the energy or time domain is outlined. First promising results for determining the asymmetry of the electric field gradient at the nucleus of a diamagnetic iron center as derived with different types of neural networks are reported.
1206.3892v1
2012-06-20
Fermi surface topology of LaFePO and LiFeP
We perform charge self-consistent LDA+DMFT (density functional theory combined with dynamical mean field theory) calculations to study correlation effects on the Fermi surfaces of the iron pnictide superconductors LaFePO and LiFeP. We find a distinctive change in the topology of the Fermi surface in both compounds where a hole pocket with Fe dz^2 orbital character changes its geometry from a closed shape in LDA to an open shape upon inclusion of correlations.
1206.4551v3
2012-06-22
Evolution of the neutron resonances in AFe2Se2
Recent experiments on the alkali-intercalated iron selenides have raised questions about the symmetry of the superconducting phase. Random phase approximation calculations of the leading pairing eigenstate for a tight- binding 5-orbital Hubbard-Hund model of AFe2Se2 find that a d-wave (B1g) state evolves into an extended s{\pm} (A1g) state as the system is hole-doped. However, over a range of doping these two states are nearly degenerate. Here, we calculate the imaginary part of the magnetic spin susceptibility \chi"(q,{\omega}) for these gaps and discuss how the evolution of neutron scattering resonances can distinguish between them.
1206.5235v1
2012-06-27
Electronic, magnetic properties and correlation effects in the layered quaternary iron oxyselenide Na2Fe2Se2O from first principles
By means of the first-principle calculations, we have investigated electronic, magnetic properties and correlation effects for the newly discovered layered oxyselenide Na2Fe2Se2O. Our results reveal that the electron correlations in the Fe 3d bands promote a transition of Na2Fe2Se2O from magnetic metallic or half-metallic states to the antiferromagnetic Mott-insulating state. In addition, the bonding picture in Na2Fe2Se2O is described as an anisotropic mixture of ionic and covalent contributions.
1206.6182v1