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2011-09-29
Signatures of electronic correlations in iron silicide
The intermetallic FeSi exhibits an unusual temperature dependence in its electronic and magnetic degrees of freedom, epitomized by the crossover from a low temperature non-magnetic semiconductor to a high temperature paramagnetic metal with a Curie-Weiss like susceptibility. Many proposals for this unconventional behav...
1109.6561v2
2011-10-03
Phase transitions in spin-orbital models with spin-space anisotropies for iron-pnictides: A study through Monte Carlo simulations
The common phase diagrams of superconducting iron pnictides show interesting material specificities in the structural and magnetic phase transitions. In some cases the two transitions are separate and second order, while in others they appear to happen concomitantly as a single first order transition. We explore these ...
1110.0434v2
2011-10-04
Two-orbital quantum spin model of magnetism in the iron pnictides
We study a two-orbital spin model to describe (pi,0) stripe antiferromagnetism in the iron pnictides. The "double-spin" model has an on-site Hunds's coupling and inter-site interactions extending to second neighbors (inter- and intra-orbital) on the square lattice. Using a variational method based on a cluster decompos...
1110.0761v2
2011-10-14
Interplay between spin density wave and superconductivity in '122' iron pnictides: 57Fe Mössbauer study
Iron-based superconductors Ba0.7Rb0.3Fe2As2 and CaFe1.92Co0.08As2 of the '122' family have been investigated by means of the 14.41-keV Moessbauer transition in 57Fe versus temperature ranging from the room temperature till 4.2 K. A comparison is made with the previously investigated parent compounds BaFe2As2 and CaFe2A...
1110.3170v1
2011-10-19
Synthesis of novel rare earth - iron oxide chalcogenides with the La2Fe2O3Se2 structure
Our searches for new oxide chalcogenides of rare earths and Fe, Co, Ni, and Zn resulted in preparation of two new compounds Ce2Fe2O3S2 and Pr2Fe2O3S2 which are isostructural to La2Fe2O3Se2 and Sm2Ti2O3Sb2. Crystal structures of the new compounds Ce2Fe2O3S2 and Pr2Fe2O3S2 were determined from powder X-ray diffraction da...
1110.4234v1
2011-10-21
P-T phase diagram of iron arsenide superconductor NdFeAsO0.88F0.12
NdFeAsO0.88F0.12 belongs to the recently discovered family of high-TC iron-based superconductors. The influence of high pressure on transport properties of this material has been studied. Contrary to La-based compounds, we did not observe a maximum in TC under pressure. Under compression, TC drops rapidly as a linear f...
1110.4909v1
2011-10-22
Strong field effects on emission line profiles: Kerr black holes and warped accretion disks
If an accretion disk around a black hole is illuminated by hard X-rays from non-thermal coronae, fluorescent iron lines will be emitted from the inner region of the accretion disk. The emission line profiles will show a variety of strong field effects, which may be used as a probe of the spin parameter of the black hol...
1110.4997v1
2011-10-30
Microwave Surface Impedance Measurements of the Electronic State and Dissipation of Magnetic Vortices in Superconducting Iron-Based LiFeAs Single Crystals
LiFeAs is one of the iron-based superconductors having multiple gaps with the possible sign reversal. To clarify how those novel natures affect the energy dissipation of magnetic vortices, we investigated the microwave surface impedance of LiFeAs single crystals under finite magnetic fields. The flux-flow resistivity e...
1110.6575v2
2011-10-31
Spin-dependent recombination in Czochralski silicon containing oxide precipitates
Electrically detected magnetic resonance is used to identify recombination centers in a set of Czochralski grown silicon samples processed to contain strained oxide precipitates with a wide range of densities (~ 1e9 cm-3 to ~ 7e10 cm-3). Measurements reveal that photo-excited charge carriers recombine through Pb0 and P...
1110.6727v1
2011-10-31
One-sign order parameter in iron based superconductor
The onset of superconductivity at the transition temperature is marked by the onset of order, which is characterized by an energy gap. Most models of the iron-based superconductors find a sign-changing (s\pm) order parameter [1-6], with the physical implication that pairing is driven by spin fluctuations. Recent work, ...
1110.6922v2
2011-11-17
Competition between commensurate and incommensurate magnetic ordering in Fe(1+y)Te
The Fe1+y Te1-x Sex compounds belong to the family of iron-based high temperature superconductors, in which superconductivity often appears upon doping antiferromagnetic parent compounds. Unlike other Fe-based superconductors (in which the antiferromagnetic order is at the Fermi surface nesting wavevector [1/2,1/2,1]),...
1111.4236v2
2011-11-26
Electronic reconstruction through the structural and magnetic transitions in detwinned NaFeAs
We use angle-resolved photoemission spectroscopy to study twinned and detwinned iron pnictide compound NaFeAs. Distinct signatures of electronic reconstruction are observed to occur at the structural (TS) and magnetic (TSDW) transitions. At TS, C4 rotational symmetry is broken in the form of an anisotropic shift of the...
1111.6134v1
2011-11-29
Suzaku Observation of the Black Hole Candidate MAXI J1836-194 in a Hard/Intermediate Spectral State
We report on a Suzaku observation of the newly discovered X-ray binary MAXI J1836-194. The source is found to be in the hard/intermediate spectral state and displays a clear and strong relativistically broadened iron emission line. We fit the spectra with a variety of phenomenological, as well as physically motivated d...
1111.6665v3
2011-12-07
Reciprocal-space structure and dispersion of the magnetic resonant mode in the superconducting phase of Rb(x)Fe(2-y)Se2 single crystals
Inelastic neutron scattering is employed to study the reciprocal-space structure and dispersion of magnetic excitations in the normal and superconducting states of single-crystalline Rb0.8Fe1.6Se2. We show that the recently discovered magnetic resonant mode in this compound has a quasi-two-dimensional character, simila...
1112.1636v1
2011-12-19
Anomalous isotope effect in phonon-dressed iron-based superconductor
The role of electron-phonon interactions in iron-based superconductor is currently under debate with conflicting experimental reports on the isotope effect. To address this important issue, we employ the renormalization-group method to investigate the competition between electron-electron and electron-phonon interactio...
1112.4326v3
2011-12-20
Do Transition Metal Substitutions Dope Carriers in Iron Based Superconductors?
We investigate the currently debated issue concerning whether transition metal substitutions dope carriers in iron based superconductors. From first-principles calculations of the configuration-averaged spectral function of BaFe$_2$As$_2$ with disordered Co/Zn substitutions of Fe, important doping effects are found bey...
1112.4858v3
2011-12-30
Structural, Magnetic and Electronic Properties of the Iron-Chalcogenide A$_x$Fe$_{2-y}$Se$_2$ (A=K, Cs, Rb, Tl and etc.) Superconductors
The latest discovery of a new iron-chalcogenide superconductor A$_x$Fe$_{2-y}$Se$_2$(A=K, Cs, Rb, Tl and etc.) has attracted much attention due to a number of its unique characteristics, such as the possible insulating state of the parent compound, the existence of Fe-vacancy and its ordering, a new form of magnetic st...
1201.0085v1
2012-01-01
Effect of transition-metal substitution in iron-based superconductors
We study theoretically the current debatable issue about the effect of transition-metal (TM) substitution in iron-based superconductors through treating all of the TM ions as randomly distributed impurities. The extra electrons from TM elements are localized at the impurity sites. In the mean time the chemical potentia...
1201.0363v2
2012-01-12
Q-scan-analysis of the neutron scattering in iron-based superconductors
We propose a way to determine the pairing state of the iron pnictide superconductors exploiting the momentum (Q) scan of the neutron scattering data. We investigate the spin susceptibility in the s+- and s++ superconducting states for various doping levels using the effective five-orbital model and considering the quas...
1201.2453v2
2012-01-16
(PI,0) antiferromagnetic spin excitations in superconducting Rb0.82Fe1.68Se2
We use inelastic neutron scattering to show that superconducting (SC) rubidium iron selenide Rb0.82Fe1.68Se2 exhibits antiferromagnetic (AF) spin excitations near the in-plane wave vector Q = (PI, 0) identical to that for iron arsenide superconductors. Moreover, we find that these excitations change from incommensurate...
1201.3348v1
2012-01-20
Non-destructive imaging of an individual protein
The mode of action of proteins is to a large extent given by their ability to adopt different conformations. This is why imaging single biomolecules at atomic resolution is one of the ultimate goals of biophysics and structural biology. The existing protein database has emerged from X-ray crystallography, NMR or cryo-T...
1201.4300v1
2012-01-25
Pressure Effects on Magnetically-Driven Electronic Nematic States in Iron-Pnictides
In a magnetically driven electronic nematic state, an externally applied uniaxial strain rounds the nematic transition and increases the magnetic transition temperature. We study both effects in a simple classical model of the iron-pnictides expressed in terms of local SO(N) spins (with N = 3) which we solve to leading...
1201.5174v1
2012-02-01
120-mm superconducting quadrupole for interaction regions of hadron colliders
Magnetic and mechanical designs of a Nb3Sn quadrupole magnet with 120-mm aperture suitable for interaction regions of hadron colliders are presented. The magnet is based on a two-layer shell-type coil and a cold iron yoke. Special spacers made of a low-Z material are implemented in the coil mid-planes to reduce the lev...
1202.0293v1
2012-02-03
Gap opening and orbital modification of superconducting FeSe above the structural distortion
We utilize steady-state and transient optical spectroscopies to examine the responses of nonthermal quasiparticles with respect to orbital modifications in normal-state iron-chalcogenide superconductors. The dynamics shows the emergence of gap-like quasiparticles (associated to a ~36 meV energy gap) with a coincident t...
1202.0658v1
2012-02-08
Pairing Symmetry and Spin Excitations of Iron Selenide Superconductors
We propose an effective single-band model for the newly discovered iron selenide superconductors A$_x$Fe$_{2-y}$Se$_2$ (A=Tl,K,Rb,Cs). Based on this minimum model and the random phase approximation, the $d_{x^2-y^2}$ pairing symmetry is revealed theoretically, which may be understood in the framework of Fermi surface t...
1202.1607v1
2012-02-16
Transport and magnetic properties of La-doped CaFe$_2$As$_2$
We measured the transport properties and susceptibility of single crystals Ca$_{1-x}$La$_x$Fe$_2$As$_2$(x=0, 0.05, 0.1, 0.15, 0.19 and 0.25). Large in-plane resistivity anisotropy similar to that in Co-doped 122 iron-pnictides is observed although no transition metals were introduced in the FeAs-plane. The in-plane res...
1202.3589v1
2012-02-20
Sign-reversal of the in-plane resistivity anisotropy in hole-doped iron pnictides
The in-plane anisotropy of the electrical resistivity across the coupled orthorhombic and magnetic transitions of the iron pnictides has been extensively studied in the parent and electron-doped compounds. All these studies universally show that the resistivity $\rho_{a}$ across the long orthorhombic axis $a_{O}$ - alo...
1202.4430v2
2012-03-05
Gap nodes induced by coexistence with antiferromagnetism in iron-based superconductors
We investigate the pairing in iron pnictides in the coexistence phase, which displays both superconducting and antiferromagnetic orders. By solving the pairing problem on the Fermi surface reconstructed by long-range magnetic order, we find that the pairing interaction necessarily becomes angle-dependent, even if it wa...
1203.0991v1
2012-03-06
Nanoscale Metallic Iron for Environmental Remediation: Prospects and Limitations
The amendment of the subsurface with nanoscale metallic iron particles (nano-Fe0) has been discussed in the literature as an efficient in situ technology for groundwater remediation. However, the introduction of this technology was controversial and its efficiency has never been univocally established. This unsatisfyin...
1203.1128v1
2012-03-08
NMR Study in the Iron-Selenide Rb0.74Fe1.6Se2: Determination of the Superconducting Phase as Iron Vacancy-Free Rb0.3Fe2Se2
77Se and 87Rb nuclear magnetic resonance (NMR) experiments on Rb0.74Fe1.6Se2 reveal clearly distinct spectra originating from a majority antiferromagnetic (AF) and a minority metallic-superconducting (SC) phase. The very narrow NMR line of the SC phase evidences the absence of Fe vacancies and any trace of AF order. Th...
1203.1834v2
2012-03-08
Simulation of proton-induced and iron-induced extensive air showers at extreme energies
The development of extensive air showers at extreme energies is studied using a simulation model much simpler and cruder, but also more transparent and flexible, than existing sophisticated codes. Evidence for its satisfactory performance is presented. As an illustration, shower elongation rates are evaluated in the $1...
1203.1845v1
2012-03-13
Self-Consistent Vertex Correction Analysis for Iron-Based Superconductors: Mechanism of Coulomb-Interaction-Driven Orbital Fluctuations
We study the mechanism of orbital/spin fluctuations due to multiorbital Coulomb interaction in iron-based superconductors, going beyond the random-phase-approximation. For this purpose, we develop a self-consistent vertex correction (SC-VC) method, and find that multiple orbital fluctuations in addition to spin fluctua...
1203.2874v3
2012-03-16
Interstellar polarization and grain alignment: the role of iron and silicon
We compiled the polarimetric data for a sample of lines of sight with known abundances of Mg, Si, and Fe. We correlated the degree of interstellar polarization $P$ and polarization efficiency (the ratio of $P$ to the colour excess $E(B-V)$ or extinction $A_V$) with dust phase abundances. We detect an anticorrelation be...
1203.3677v1
2012-03-19
Photoionization Cross-Sections for the trans-iron element Se$^+$ from 18 eV to 31 eV
Absolute photoionization cross-section calculations are presented for Se$^+$ using large-scale close-coupling calculations within the Breit-Pauli and Dirac-Coulomb R-matrix approximations. The results from our theoretical work are compared with recent measurements made at the Advanced Light Source (ALS) radiation facil...
1203.4102v1
2012-03-21
Non-Fermi-Liquid Transport Phenomena and Superconductivity Driven by Orbital Fluctuations in Iron Pnictides: Analysis by Fluctuation-Exchange Approximation
We study the five-orbital Hubbard model including the charge quadrupole interaction for iron pnictides. Using the fluctuation-exchange (FLEX) approximation, orbital fluctuations evolve inversely proportional to the temperature, and therefore the resistivity shows linear or convex T-dependence for wide range of temperat...
1203.4639v2
2012-03-22
Universal pair-breaking in transition metal-substituted iron-pnictide superconductors
The experimental transport scattering rate was determined for a wide range of optimally doped transition metal-substituted FeAs-based compounds with the ThCr2Si2 (122) crystal structure. The maximum transition temperature Tc for several Ba-, Sr-, and Ca-based 122 systems follows a universal rate of suppression with inc...
1203.5114v3
2012-04-07
KFe_2Se_2 is the parent compound of K-doped iron selenide superconductors
We elucidate the existing controversies in the newly discovered K-doped iron selenide (KxFe2-ySe2-z) superconductors. The stoichiometric KFe2Se2 with \surd2\times\surd2 charge ordering was identified as the parent compound of KxFe2-ySe2-z superconductor using scanning tunneling microscopy and spectroscopy. The supercon...
1204.1588v1
2012-04-08
Vie Physarale: Evaluation of Roman roads with slime mould
Roman Empire is renowned for sharp logical design and outstanding building quality of its road system. Many roads built by Romans are still use in continental Europe and UK. The Roman roads were built for military transportations with efficiency in mind, as straight as possible. Thus the roads make an ideal test-bed fo...
1204.2260v1
2012-04-10
The symplectic-N t-J model and s$_\pm$ superconductors
The possible discovery of $s_\pm$ superconducting gaps in the moderately correlated iron-based superconductors has raised the question of how to properly treat $s_\pm$ gaps in strongly correlated superconductors. Unlike the d-wave cuprates, the Coulomb repulsion does not vanish by symmetry, and a careful treatment is e...
1204.2302v2
2012-04-18
Electronic properties and magnetism of iron at the Earth's inner core conditions
We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earth's core conditions. We demonstrate that the correction to the electronic free energy due to corre...
1204.3954v2
2012-04-19
Paramagnetic Phase of a Heavy-Fermion Compound, CeFePO, Probed by 57Fe Mössbauer Spectroscopy
57Fe M\"{o}ssbauer spectroscopy was applied to an iron-based layered compound CeFePO. At temperatures from 9.4 to 293 K, no magnetic splitting was observed in the M\"ossbauer spectra of CeFePO indicating a paramagnetic phase of the Fe magnetic sublattice. All the spectra were fitted with a small quadrupole splitting, a...
1204.4266v1
2012-04-25
Susceptibility anisotropy in an iron arsenide superconductor revealed by x-ray diffraction in pulsed magnetic fields
In addition to unconventional high-Tc superconductivity, the iron arsenides exhibit strong magnetoelastic coupling and a notable electronic anisotropy within the a-b plane. We relate these properties by studying underdoped Ba(Fe{1-x}Co{x})2As2 by x-ray diffraction in pulsed magnetic fields up to 27.5 Tesla. We exploit ...
1204.5693v1
2012-05-08
X-Ray view of Misaligned AGNs
The Fermi-LAT satellite has recently discovered a small group of radio galaxies and steep spectrum radio sources: the misaligned AGNs (MAGNs) sample. We present the X-ray analysis of all the sources of this sample (7 FRIs and 3 FRIIs) with a firm GeV association. This study supports the idea that FRIIs host more effici...
1205.1691v1
2012-05-08
Short-range symmetry breaking induced structural collapse and Tc enhancement in 122-type iron pnictide superconductors
In this paper, we investigate analytically the experimental observations of structural collapse and Tc enhancement in the rare earth-doped 122-type iron-based pnictide superconductors [S. R. Saha et.al. Phys. Rev. B 85, 024525 (2012), arXiv:1105.4798 (2011); B. Lv et al. PNAS 108, 15705 (2011).]. Based on the real-spac...
1205.1837v1
2012-05-11
Theory of Mixed-State Effect on Quasiparticle Interference in Iron-based Superconductors
Based on a phenomenological model with $s_{\pm}$ or s-wave pairing symmetry, the mixed-state effect on quasiparticle interference in iron-based superconductors is investigated by solving large-scale Bogoliubov-de Gennes equations based on the Chebyshev polynomial expansion. Taking into account the presence of magnetic ...
1205.2418v1
2012-05-23
Breaking of four-fold lattice symmetry in a model for pnictide superconductors
We investigate the interplay of onsite Coulomb repulsion and various mechanisms breaking the fourfold lattice symmetry in a three-band model for the iron planes of iron-based superconductors. Using cluster-perturbation theory allows us to locally break the symmetry between the x- and y-directions without imposing long-...
1205.5102v1
2012-05-27
The Topological Relation Between Bulk Gap Nodes and Surface Bound States : Application to Iron-based Superconductors
In the past few years materials with protected gapless surface (edge) states have risen to the central stage of condensed matter physics. Almost all discussions centered around topological insulators and superconductors, which possess full quasiparticle gaps in the bulk. In this paper we argue systems with topological ...
1205.5933v3
2012-05-30
New Phase Induced by Pressure in the Iron-Arsenide Superconductor K-Ba122
The electrical resistivity rho of the iron-arsenide superconductor Ba1-xKxFe2As2 was measured in applied pressures up to 2.6 GPa for four underdoped samples, with x = 0.16, 0.18, 0.19 and 0.21. The antiferromagnetic ordering temperature T_N, detected as a sharp anomaly in rho(T), decreases linearly with pressure. At pr...
1205.6730v2
2012-05-30
The Submm and mm Excess of the SMC: Magnetic Dipole Emission from Magnetic Nanoparticles?
The Small Magellanic Cloud (SMC) has surprisingly strong submm and mm-wavelength emission that is inconsistent with standard dust models, including those with emission from spinning dust. Here we show that the emission from the SMC may be understood if the interstellar dust mixture includes magnetic nanoparticles, emit...
1205.6810v1
2012-06-02
Effect of substitution and heat treatment route on polycrystalline FeSe0.5Te0.5 Superconductors
The effect of atomic substitution of Te in iron based superconductors FeSe (1:1 type), which exhibits the simplest crystal structure among the iron-based superconductors, has been investigated in terms of structural, electronic transport and magnetic properties. Polycrystalline samples with nominal Se:Te in FeSe1-xTex ...
1206.0401v2
2012-06-05
Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations
We perform realistic first-principles calculations of iron chalcogenides and ruthenate based materials to identify experimental signatures of Hund's coupling induced correlations in these systems. We find that FeTe and K$_x$Fe$_{2-y}$Se$_2$ display unusual orbital dependent fractional powerlaw behavior in their quasipa...
1206.0801v3
2012-06-08
Studies of concentration and temperature dependencies of precipitation kinetics in iron-copper alloys using kinetic monte carlo and stochastic statistical simulations
The earlier-developed ab initio model and the kinetic Monte Carlo method (KMCM) are used to simulate precipitation in a number of iron-copper alloys with different copper concentrations x and temperatures T. The same simulations are also made using the improved version of the earlier-suggested stochastic statistical me...
1206.1792v1
2012-06-12
Density functional theory calculations and vibrational spectroscopy on iron spin-crossover compounds
Iron complexes with a suitable ligand field undergo spin-crossover (SCO), which can be induced reversibly by temperature, pressure or even light. Therefore, these compounds are highly interesting candidates for optical information storage, for display devices and pressure sensors. The SCO phenomenon can be conveniently...
1206.2469v1
2012-06-13
Dynamics of Metal Centers Monitored by Nuclear Inelastic Scattering
Nuclear inelastic scattering of synchrotron radiation has been used now since 10 years as a tool for vibrational spectroscopy. This method has turned out especially useful in case of large molecules that contain a M\"ossbauer active metal center. Recent applications to iron-sulfur proteins, to iron(II) spin crossover c...
1206.2760v1
2012-06-25
Structure and physical properties of new layered iron oxychalcogenide BaFe2OSe2
We have successfully synthesized a new layered iron oxychalcogenide BaFe2OSe2 single crystal. This compound is built up of Ba and Fe-Se(O) layers alternatively stacked along the c-axis. The Fe-Se(O) layers contain double chains of edge-shared Fe-Se(O) tetrahedra that propagate along the b-axis and are bridged by oxygen...
1206.5788v1
2012-06-29
Synthesis of a new alkali metal-organic solvent intercalated iron selenide superconductor with Tc{\approx}45K
We report on a new iron selenide superconductor with a TC onset of 45K and the nominal composition Lix(C5H5N)yFe2-zSe2, synthesized via intercalation of dissolved alkaline metal in anhydrous pyridine at room temperature. This superconductor exhibits a broad transition, reaching zero resistance at 10K. Magnetization mea...
1206.7022v1
2012-07-09
Multifractal scaling of flux penetration in the Iron-based Superconductor Ba(Fe$_{0.93}$Co$_{0.07}$)$_{2}$As$_2$
The penetration of magnetic flux fronts in the optimally-doped iron-based superconductor Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_2$ ($x = 0.07 \pm 0.005$) is studied by means of magneto-optical imaging and Bitter decoration. The higher-order analysis of roughening and growth of the magnetic flux front reveals anomalous scaling...
1207.2068v2
2012-07-10
Optical properties of the iron-pnictide analog BaMn2As2
We have investigated the infrared and Raman optical properties of BaMn2As2 in the ab-plane and along the c-axis. The most prominent features in the infrared spectra are the Eu and A2u phonon modes which show clear TO-LO splitting from the energy loss function analysis. All the phonon features we observed in infrared an...
1207.2360v1
2012-07-10
NLTE line formation of Fe in late-type stars II: 1D spectroscopic stellar parameters
We investigate departures from local thermodynamic equilibrium (NLTE) in the line formation of neutral and singly ionised iron lines and their impact on spectroscopic stellar parameters. The calculations are performed for an extensive grid of 1D MARCS models of metal-rich and metal-poor late-type dwarfs and giants. We ...
1207.2454v1
2012-07-12
Strong electronic correlations from Hund's coupling
Strong electronic correlations are often associated with the proximity of a Mott insulating state. In recent years however, it has become increasingly clear that the Hund's rule coupling (intra-atomic exchange) is responsible for strong correlations in multi-orbital metallic materials which are not close to a Mott insu...
1207.3033v2
2012-07-13
Investigation of the Superconducting Gap Structure in SrFe$_2$(As$_{0.7}$P$_{0.3}$)$_2$ by Magnetic Penetration Depth and Flux Flow Resistivity Analysis
We measured the microwave surface impedances and obtained the superfluid density and flux flow resistivity in single crystals of a phosphor-doped iron-based superconductor SrFe$_2$(As$_{1-x}$P$_{x}$)$_2$ single crystals ($x=0.30$, $T_c=25 \mathrm{K}$). At low temperatures, the superfluid density, $n_s (T)/n_s(0)$, obey...
1207.3155v1
2012-07-26
High pressure transport studies of the LiFeAs analogues CuFeTe2 and Fe2As
We have synthesized two iron-pnictide/chalcogenide materials, CuFeTe2 and Fe2As, which share crystallographic features with known iron-based superconductors, and carried out high-pressure electrical resistivity measurements on these materials to pressures in excess of 30 GPa. Both compounds crystallize in the Cu2Sb-typ...
1207.6272v1
2012-07-29
Oriented gap opening in the magnetically ordered state of Iron-pnicitides: an impact of intrinsic unit cell doubling on the $Fe$ square lattice by $As$ atoms
We show that the complicated band reconstruction near Fermi surfaces in the magnetically ordered state of iron-pnictides observed by angle-resolved photoemission spectroscopies (ARPES) can be understood in a meanfield level if the \emph{intrinsic unit cell doubling} due to As atoms is properly considered as shown in th...
1207.6798v1
2012-07-30
Surface adatom conductance filtering in scanning tunneling spectroscopy of Co-doped BaFe2As2 iron pnictide superconductors
We establish in a combination of ab initio theory and experiments that the tunneling process in scanning tunneling microscopy/spectroscopy on the A-122 iron pnictide superconductors - in this case BaFe$_{2-x}$Co$_x$As$_2$ - involve a strong adatom filtering of the differential conductance from the near-EF Fe3d states, ...
1207.7122v1
2012-08-06
Superconductivity in striped and multi-Fermi-surface Hubbard models: From the cuprates to the pnictides
Single- and multi-band Hubbard models have been found to describe many of the complex phenomena that are observed in the cuprate and iron-based high-temperature superconductors. Simulations of these models therefore provide an ideal framework to study and understand the superconducting properties of these systems and t...
1208.1158v1
2012-08-09
Orbital differentiation and the role of orbital ordering in the magnetic state of Fe superconductors
We analyze the metallic (pi,0) antiferromagnetic state of a five-orbital model for iron superconductors. We find that with increasing interactions the system does not evolve trivially from the pure itinerant to the pure localized regime. Instead we find a region with a strong orbital differentiation between xy and yz, ...
1208.1917v2
2012-08-10
Effective medium approximation and the complex optical properties of the inhomogeneous superconductor K_{0.8}Fe_{2-y}Se_2
The in-plane optical properties of the inhomogeneous iron-chalcogenide superconductor K_{0.8}Fe_{2-y}Se_2 with a critical temperature Tc = 31 K have been modeled in the normal state using the Bruggeman effective medium approximation for metallic inclusions in an insulating matrix. The volume fraction for the inclusions...
1208.2240v2
2012-08-14
Nematicity from mixed S_{+-} + d_{x^2-y^2} states in iron-based superconductors
We demonstrate that in iron-based superconductors, the extended S_{+-} SC state coexists with the d_{x^2-y^2} state under generic conditions. The mixed S_{+-} + d_{x^2-y^2} SC is a natural nematic state in which the tetragonal symmetry C_4 is broken to C_2 explaining puzzling findings of nematic SC in FeSe films [Scien...
1208.2881v3
2012-08-16
Suppression of superconductivity by Neel-type magnetic fluctuations in the iron pnictides
Motivated by recent experimental detection of Neel-type ($(\pi,\pi)$) magnetic fluctuations in some iron pnictides, we study the impact of competing $(\pi,\pi)$ and $(\pi,0)$ spin fluctuations on the superconductivity of these materials. We show that, counter-intuitively, even short-range, weak Neel fluctuations strong...
1208.3412v2
2012-08-18
On the dual role of the d-electrons in iron-pnictides
In the stoichiometric Fe-pnictides the same d-electrons form the local moments and participate in the metallic conductivity. In the manuscript the emergence of the magnetic moments on the Fe-sites, their interaction with the itinerant electrons are studied in the paramagnetic phase at the different relations between th...
1208.3740v2
2012-08-19
A Model of the Cellular Iron Homeostasis Network Using Semi-Formal Methods for Parameter Space Exploration
This paper presents a novel framework for the modeling of biological networks. It makes use of recent tools analyzing the robust satisfaction of properties of (hybrid) dynamical systems. The main challenge of this approach as applied to biological systems is to get access to the relevant parameter sets despite gaps in ...
1208.3851v1
2012-08-24
Raman-Scattering Detection of Nearly Degenerate $s$-Wave and $d$-Wave Pairing Channels in Iron-Based Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ and Rb$_{0.8}$Fe$_{1.6}$Se$_2$ Superconductors
We show that electronic Raman scattering affords a window into the essential properties of the pairing potential $V_{\mathbf{k},\mathbf{k^{\prime}}}$ of iron-based superconductors. In Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ we observe band dependent energy gaps along with excitonic Bardasis-Schrieffer modes characterizing, res...
1208.5006v2
2012-08-29
Quantum Oscillations in Iron Pnictide Superconductors
Insight into the electronic structure of the pnictide family of superconductors is obtained from quantum oscillation measurements. Here we review experimental quantum oscillation data that reveal a transformation from large quasi-two dimensional electron and hole cylinders in the paramagnetic overdoped members of the p...
1208.5862v1
2012-09-01
Iron based superconductors: magnetism, superconductivity and electronic structure
Angle resolved photoemission spectroscopy (ARPES) reveals the features of the electronic structure of quasi-two-dimensional crystals, which are crucial for the formation of spin and charge ordering and determine the mechanisms of electron-electron interaction, including the superconducting pairing. The newly discovered...
1209.0140v1
2012-09-03
Magnetism and its microscopic origin in iron-based high-temperature superconductors
High-temperature superconductivity in the iron-based materials emerges from, or sometimes coexists with, their metallic or insulating parent compound states. This is surprising since these undoped states display dramatically different antiferromagnetic (AF) spin arrangements and N$\rm \acute{e}$el temperatures. Althoug...
1209.0381v1
2012-09-06
The role of 245 phase in alkaline iron selenide superconductors revealed by high pressure studies
Here we show that a pressure of about 8 GPa suppresses both the vacancy order and the insulating phase, and a further increase of the pressure to about 18 GPa induces a second transition or crossover. No superconductivity has been found in compressed insulating 245 phase. The metallic phase in the intermediate pressure...
1209.1340v2
2012-09-10
Anisotropic but nodeless superconducting gap in the presence of spin density wave in iron-pnictide superconductor NaFe1-xCoxAs
The coexisting regime of spin density wave (SDW) and superconductivity in the iron pnictides represents a novel ground state. We have performed high resolution angle-resolved photoemission measurements on NaFe1-xCoxAs (x = 0.0175) in this regime and revealed its distinctive electronic structure, which provides some mic...
1209.1967v2
2012-09-14
Acoustic and optical phonon dynamics from femtosecond time-resolved optical spectroscopy of superconducting iron pnictide Ca(Fe_0.944Co_0.056)_2As_2
We report temperature evolution of coherently excited acoustic and optical phonon dynamics in superconducting iron pnictide single crystal Ca(Fe_0.944Co_0.056)_2As_2 across the spin density wave transition at T_SDW ~ 85 K and superconducting transition at T_SC ~20 K. Strain pulse propagation model applied to the genera...
1209.3174v2
2012-09-22
Dynamical Mean-Field Study of Local Pairing Interaction Mediated by Spin and Orbital Fluctuations in Iron Pnictide Superconductors
We investigate the two-orbital Hubbard model, which reproduces the electron and hole Fermi surfaces in the iron pnictide superconductors, in the presence of the Jahn-Teller electron-phonon coupling by using the dynamical mean-field theory. When the intra- and inter-orbital Coulomb interactions, $U$ and $U'$, increase w...
1209.4954v2
2012-09-24
Magnetic phase separation and superfluid density measurements in alkali metal-organic solvent intercalated iron selenide superconductor Lix(C5H5N)yFe2-zSe2
We report the low-temperature electronic and magnetic properties of the alkali metal-organic solvent intercalated iron selenide superconductor Lix(C5H5N)yFe2-zSe using muon-spin-spectroscopy measurements. The zero-field \muSR results indicate that nearly half of the sample is magnetically ordered and there is a spatial...
1209.5279v1
2012-09-24
Ba1-xNaxTi2Sb2O (0.0 <= x <= 0.33): A Layered Titanium-based Pnictide Oxide Superconductor
A new layered Ti-based pnictide oxide superconductor, Ba1-xNaxTi2Sb2O (0.0 <= x <= 0.33), is reported. X-ray studies reveal it crystallizes in the tetragonal CeCr2Si2C structure. The undoped parent compound, BaTi2Sb2O (P4/mmm; a=4.1196(1){\AA}; c=8.0951(2){\AA}), exhibits a CDW/SDW transition at 54K. Upon chemical dopi...
1209.5447v2
2012-09-27
Oxygen Reduction Activity of Carbon Nitride Supported on Carbon Nanotubes
Fuel cells offer an alternative to burning fossil fuels, but use platinum as a catalyst which is expensive and scarce. Cheap, alternative catalysts could enable fuel cells to become serious contenders in the green energy sector. One promising class of catalyst for electrochemical oxygen reduction is iron-containing, na...
1209.6112v1
2012-09-27
Temperature dependence of the paramagnetic spin excitations in BaFe$_2$As$_2$
We use inelastic neutron scattering to study temperature dependence of the paramagnetic spin excitations in iron pnictide BaFe$_2$As$_2$ throughout the Brillouin zone. In contrast to a conventional local moment Heisenberg system, where paramagnetic spin excitations are expected to have a Lorentzian function centered at...
1209.6271v1
2012-10-01
The distinct in-plane resistivity anisotropy in the nematic states of detwinned NaFeAs and FeTe single crystals: evidences for Hund's rule metal
The in-plane resistivity anisotropy has been studied with the Montgomery method on two detwinned parent compounds of the iron-based superconductors, NaFeAs and FeTe. For NaFeAs, the resistivity in the antiferromagnetic (AFM) direction is smaller than that in the ferromagnetic (FM) direction, similar to that observed in...
1210.0397v1
2012-10-02
Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations
We present a rotationally invariant Hirsch-Fye quantum Monte Carlo algorithm in which the spin rotational invariance of Hund's exchange is approximated by averaging over all possible directions of the spin quantization axis. We employ this technique to perform benchmark calculations for the two- and three-band Hubbard ...
1210.0911v3
2012-10-09
Indirect evidence for strong coupling superconductivity in FeSe under pressure from first-principle calculations
Whether the pairing mechanism for superconductivity in iron-based superconductors is of itinerant or local character is a question still debated on. In order to investigate the influence of Fermi surface nesting, we calculate from first-principles the static susceptibility of FeSe under applied pressures, both hydrosta...
1210.2593v1
2012-10-19
Non-collinear magnetic ordering in compressed FePd$_3$ ordered alloy: a first principles study
By means of ab initio calculations based on the density functional theory we investigated magnetic phase diagram of ordered FePd$_3$ alloy as a function of external pressure. Considering several magnetic configurations we concluded that the system under pressure has a tendency to non-collinear spin alignment. Analysi...
1210.5478v2
2012-11-08
Orbital Selectivity in Hund's metals: The Iron Chalcogenides
We show that electron correlations lead to a bad metallic state in chalcogenides FeSe and FeTe despite the intermediate value of the Hubbard repulsion $U$ and Hund's rule coupling $J$. The evolution of the quasi particle weight $Z$ as a function of the interaction terms reveals a clear crossover at $U \simeq$ 2.5 eV. I...
1211.2015v1
2012-11-12
Spectral effects simulation with two-dimensional magnetohydrodynamic models of the solar photosphere
To study the structure of spatially unresolved features of the solar photosphere, we calculated the Stokes profiles of seven photospheric iron lines using two-dimensional nonstationary MHD models of solar granulation for various amounts of magnetic flux (0, 10, 20, 30 mT). We investigate variations in the absolute wave...
1211.2791v1
2012-11-19
Electronic band structure and momentum dependence of the superconducting gap in (Ca, Na)Fe2As2 from angle-resolved photoemission spectroscopy
Electronic structure of newly synthesized single crystals of calcium iron arsenide doped with sodium with Tc ranging from 33 to 14 K has been determined by angle-resolved photoemission spectroscopy (ARPES). The measured band dispersion is in general agreement with theoretical calculations, nonetheless implies absence o...
1211.4593v1
2012-11-20
Transport properties for liquid silicon-oxygen-iron mixtures at Earth's core conditions
We report on the thermal and electrical conductivities of two liquid silicon-oxygen-iron mixtures (Fe$_{0.82}$Si$_{0.10}$O$_{0.08}$ and Fe$_{0.79}$Si$_{0.08}$O$_{0.13}$), representative of the composition of the Earth's outer core at the relevant pressure-temperature conditions, obtained from density functional theory ...
1211.4718v1
2012-11-26
The nature of high-energy radiation damage in iron: Modeling results
Understanding and predicting a material's performance in response to high-energy radiation damage, as well as designing future materials to be used in intense radiation environments, requires the knowledge of the structure, morphology and amount of radiation-induced structural change. We report the results of molecular...
1211.6147v1
2012-11-30
Sensitivity of the r-process to nuclear masses
The rapid neutron capture process (r-process) is thought to be responsible for the creation of more than half of all elements beyond iron. The scientific challenges to understanding the origin of the heavy elements beyond iron lie in both the uncertainties associated with astrophysical conditions that are needed to all...
1211.7310v1
2012-11-30
Paramagnetic spin excitations in insulating Rb$_{0.8}$Fe$_{1.6}$Se$_2$
We use neutron scattering to study temperature dependent spin excitations in insulating antiferromagnetic (AF) Rb$_{0.8}$Fe$_{1.6}$Se$_2$. In the low-temperature AF state, spin waves can be accurately described by a local moment Heisenberg Hamiltonian. On warming to around the Neel temperature of T_N=500$ K, low-energy...
1211.7328v1
2012-12-04
Growth, Characterization, Vortex Pinning and Vortex Flow Properties of Single Crystals of Iron Chalcogenide Superconductor FeCr$_{0.02}$Se
We report the growth and characterization of single crystals of iron chalcogenide superconductor FeCr$_{0.02}$Se. There is an enhancement of the superconducting transition temperature (T$_{\rm c}$) as compared to the T$_{\rm c}$ of the single crystals of the parent compound Fe$_{1+x}$Se by about 25%. The superconductin...
1212.0814v2
2012-12-06
Quantum transport modeling of Fe/MgO/Fe magnetic tunnel junction with FeO$_{0.5}$ buffer layer: the effects of correlations
We report \textit{ab initio} simulations of quantum transport properties of Fe/MgO/Fe trilayer structures with FeO$_{0.5}$ buffer iron oxide layer, where on-site Coulomb interaction is explicitly taken into account by local density approximation + Hubbard \textit{U} approach. We show that on-site Coulomb repulsion in t...
1212.1374v1
2012-12-19
Optical conductivity and Raman scattering of iron superconductors
We discuss how to analyze the optical conductivity and Raman spectra of multi-orbital systems using the velocity and the Raman vertices in a similar way Raman vertices were used to disentangle nodal and antinodal regions in cuprates. We apply this method to iron superconductors in the magnetic and non-magnetic states, ...
1212.4765v2
2013-01-09
Power-law Temperature Dependent Hall Angle in the Normal State and its Correlation with Superconductivity in iron-pnictides
We report Hall measurement of the normal state in K- and Co-doped BaFe$_2$As$_2$, as well NaFe$_{1-x}$Co$_x$As. We found that a power-law temperature dependence of Hall angle, cot$\theta_{\rm H}$$\propto$ $T^\beta$, prevails in normal state with temperature range well above the structural, spin-density-wave and superco...
1301.1734v1
2013-01-09
Interplay between lattice and spin states degree of freedom in the FeSe superconductor: dynamic spin state instabilities
Polarized Raman-scattering spectra of superconducting, single-crystalline FeSe evidence pronounced phonon anomalies with temperature reduction. A large 6.5% hardening of the B_1g(Fe) phonon mode is attributed to the suppression of local fluctuations of the iron spin state with the gradual decrease of the iron paramagne...
1301.1960v1
2013-01-14
Pressure-Induced Superconductivity and Its Scaling with Doping-Induced Superconductivity in the Iron Pnictide with Skutterudite Intermediary Layers
The Ca10(PtnAs8)(Fe2As2)5 (n=3,4) compounds are a new type of iron pnictide superconductors whose structures consist of stacking Ca-PtnAs8-Ca-Fe2As2 layers in a unit cell. When n=3 (the 10-3-8 phase), the undoped compound is an antiferromagnetic (AFM) semiconductor, while, when n=4 (the 10-4-8 phase), the undoped compo...
1301.2863v2