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2011-11-16
Metamagnetic Behavior and Kondo Breakdown in Heavy-Fermion CeFePO
We report that nonmagnetic heavy-fermion (HF) iron oxypnictide CeFePO with two-dimensional XY-type anisotropy shows a metamagnetic behavior at the metamagnetic field H_M \simeq 4 T perpendicular to the c-axis and that a critical behavior is observed around H_M. Although the magnetic character is entirely different from...
1111.3749v3
2011-11-18
Magnetoelastic coupling in iron
Exchange interactions in {\alpha}- and {\gamma}-Fe are investigated within an ab-initio spin spiral approach. We have performed total energy calculations for different magnetic structures as a function of lattice distortions, related with various cell volumes and the Bain tetragonal deformations. The effective exchange...
1111.4432v1
2011-11-21
Dissipative electro-elastic network model of protein electrostatics
We propose a dissipative electro-elastic network model (DENM) to describe the dynamics and statistics of electrostatic fluctuations at active sites of proteins. The model combines the harmonic network of residue beads with overdamped dynamics of the normal modes of the network characterized by two friction coefficients...
1111.4726v1
2011-11-21
Pairing Glue Activation in Cuprates within the Quantum Critical Regime
A grand challenge in many-body quantum physics is to explain the apparent connection between quantum criticality and high-temperature superconductivity in the cuprates and similar systems, such as the iron pnictides and chalcogenides. Here we argue that the quantum-critical regime plays an essential role in activating ...
1111.5033v3
2011-11-17
About a possible path towards the reverse engineering of quantum mechanics
An out of the box intellectual path exploring the foundations of quantum mechanics is discussed in some detail, in order to clarify why a possibly different way to look at the relevant fundamental questions can be identified and can support further research. Two key concepts arise. (1) Einstein critics to quantum mecha...
1111.5215v1
2011-11-24
Interplay between superconductivity and antiferromagnetism in some iron-pnictide single crystals studied by $^{57}$Fe Mössbauer spectroscopy
We have performed detailed $^{57}$Fe M\"ossbauer spectroscopy measurements on Ba$_{0.78}$K$_{0.22}$Fe$_2$As$_2$ and BaFe$_{2-x}$Ni$_x$As$_2$ single crystal mosaics showing antiferromagnetic ordering below $T_N$ with superconductivity below $T_C$. Analysis of the M\"ossbauer spectra shows a decrease in the magnetic hype...
1111.5853v1
2011-11-28
Phase diagram and oxygen annealing effect of FeTe1-xSex iron-based superconductor
Phase diagrams of as-grown and O2-annealed FeTe1-xSex determined from magnetic susceptibility measurement were obtained. For as-grown samples, the antiferromagnetic order was fully suppressed in the range region x \geq 0.15, and weak superconductivity appeared when x \geq 0.1. Beginning at x = 0.5, weak superconductivi...
1111.6472v3
2011-12-01
Detailed abundances for M giants in two inner bulge fields from Infrared Spectroscopy
We report abundance analysis for 30 M giant stars in two inner Galactic bulge fields at (l,b)=(0,-1.75) deg and at (l,b)=(1,-2.65) deg, based on R=25,000 infrared spectroscopy from 1.5-1.8um using NIRSPEC at the Keck II telescope. We find iron abundances of <[Fe/H]>=-0.16 +/- 0.03 dex with a 1-sigma dispersion of 0.12 ...
1112.0306v1
2011-12-08
Photovoltaic Effect on Molecule Coupled Ferromagnetic Films of a Magnetic Tunnel Junction
Economical solar energy conversion to electricity can be boosted by the discovery of fundamentally new photovoltaic mechanism, and a suitable system to realize it with commonly available materials like iron (Fe) and nickel (Ni). This paper reports the observation of photovoltaic effect on a molecular spintronics device...
1112.1879v2
2011-12-10
Existence of Orbital Order and its Fluctuation in Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ Revealed by X-ray Absorption Spectroscopy
We performed temperature dependent X-ray linear dichroism (XLD) experiments on an iron pnictide system, Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ with $x$=0.00 and 0.05, to experimentally verify existence of orbital ordering (OO). We observed clear XLD in polarization dependent X-ray absorption spectra of Fe $L$ edges. By exploit...
1112.2243v1
2011-12-20
A Constructive Approach to Reduced-Form Auctions with Applications to Multi-Item Mechanism Design
We provide a constructive proof of Border's theorem [Bor91, HR15a] and its generalization to reduced-form auctions with asymmetric bidders [Bor07, MV10, CKM13]. Given a reduced form, we identify a subset of Border constraints that are necessary and sufficient to determine its feasibility. Importantly, the number of the...
1112.4572v2
2011-12-20
Observation of Multiple Superconducting Gaps in the Infrared Reflectivity Spectra of Ba(Fe0.9Co0.1)2As2
The results of infrared reflectivity measurements for the iron-based high-temperature superconductor Ba(Fe0.9Co0.1)2As2 are reported. The reflectivity is found to be close to unity at frequencies w lower than 2Delta/h (2Delta is the superconducting gap and h is Planck's constant). This is evidence for the s+/- or s+/+ ...
1112.4636v2
2011-12-21
Optical properties and electronic structure of multiferroic hexagonal orthoferrites RFeO3 (R=Ho, Er, Lu)
We report on optical studies of the thin films of multiferroic hexagonal (P.G. 6mm) rare-earth orthoferrites RFeO3 (R=Ho, Er, Lu) grown epitaxially on a (111)-surface of ZrO2(Y2O3) substrate. The optical absorption study in the range of 0.6-5.6 eV shows that the films are transparent below 1.9 eV; above this energy fou...
1112.5102v3
2011-12-26
Surface properties of the clean and Au/Pd covered Fe$_3$O$_4$(111): a DFT and DFT+$U$ study
The spin-density functional theory (DFT) and DFT+$U$ with Hubbard $U$ term accounting for on-site Coulomb interactions were applied to investigate structure, stability, and electronic properties of different terminations of the Fe$_3$O$_4$(111) surface. All terminations of the ferrimagnetic Fe$_3$O$_4$(111) surface exh...
1112.5827v1
2011-12-28
Possibility of Horizontal Line Node in KFe$_2$As$_2$ Probed by Muon Spin Rotation
The anisotropy and temperature dependence of the magnetic field penetration depth in the iron-based superconductor KFe$_2$As$_2$ have been measured down to 20 mK by means of muon spin rotation. We have observed that the flux-line lattice forms triangular symmetry when we applied the field parallel to c-axis, suggesting...
1112.6078v1
2011-12-29
Phenomenology of Neutrino Oscillations at the Neutrino Factory
We consider the prospects for a neutrino factory to measure mixing angles, the CP violating phase and mass-squared differences by detecting wrong-charged muons arising from the chain \mu^+ to \nu_e to \nu_\mu\ to \mu^- and the right-charged muons coming from the chain \mu^+ to \bar{\nu}_\mu\ to \bar{\nu}_\mu\ to \mu^+ ...
1112.6259v1
2012-01-04
KxFe2-ySe2 single crystals: Floating-zone growth, Transport and Structural properties
Single crystals of superconducting KxFe2-ySe2 have been grown with the optical floating-zone technique under application of 8 bar of argon pressure. We found that large and high quality single crystals with dimensions of ~\varnothing6 \times 10 mm could be obtained at the termination of the grown ingot through quenchin...
1201.0902v1
2012-01-04
A new candidate for probing Population III nucleosynthesis with carbon-enhanced damped Lyman-alpha systems
We report the identification of a very metal-poor damped Lyman-alpha system (DLA) at z_abs = 3.067295 that is modestly carbon-enhanced, with an iron abundance of ~1/700 solar ([Fe/H] = -2.84) and [C,O/Fe] ~ +0.6. Such an abundance pattern is likely to be the result of nucleosynthesis by massive stars. On the basis of 1...
1201.1004v2
2012-01-05
Metallicities for 6 nearby open clusters from high-resolution spectra of giant stars. [Fe/H] values for a planet search sample
We present a study of the stellar parameters and iron abundances of 18 giant stars in 6 open clusters. The analysis was based on high-resolution and high-S/N spectra obtained with the UVES spectrograph (VLT-UT2). The results complement our previous study where 13 clusters were already analyzed. The total sample of 18 c...
1201.1108v1
2012-01-09
A General Mechanism for Orbital Selective Phase Transitions
Based on the analysis of a two-orbital Hubbard model within a mean-field approach, we propose a mechanism for an orbital selective phase transition (OSPT) where coexistence of localized and itinerant electrons can be realized. We show that this OSPT exists both at and near half filling even in the absence of crystal fi...
1201.1689v2
2012-01-19
Impact of microstructure, temperature and strain ratio on energy-based low- cycle fatigue life prediction models for TiAl alloys
In this paper, two fatigue lifetime prediction models are tested on TiAl intermetallic using results from uniaxial low-cycle fatigue tests. Both assessments are based on dissipated energy but one of them considers a hydrostatic pressure correction. This work allows to confirm, on this kind of material, the linear natur...
1201.4084v1
2012-01-20
Magnetic origin of chemical balance in alloyed Fe-Cr stainless steels: first-principles and Ising model study
Iron-chromium forms the basis of most of the stainless steel grades in the markets. Recently new insights into the physical and chemical properties of Fe-Cr based alloys have been obtained. Some of the new results are quite unexpected and call for further investigations. The present study addresses the magnetic contrib...
1201.4336v1
2012-01-23
Influence of the magnetoelectric coupling on the electric field induced magnetization reversal in a composite non-strained multiferroic chain
We study theoretically the multiferroic dynamics in a composite one-dimensional system consisting of BaTiO3 multiferroically coupled to an iron chain. The method treats the magnetization and the polarization as thermodynamic quantities describable via a combination of the Landau-Lifshits- Gilbert and the Ginzburg-Landa...
1201.4740v1
2012-01-24
Electronic Orders in the Verwey Structure of Magnetite
Electronic structure calculations of the Verwey ground state of magnetite, Fe3O4, using density functional theory with treatment of on-site Coulomb interactions (DFT+U scheme) are reported. These calculations use the recently-published experimental crystal structure coordinates for magnetite in the monoclinic space gro...
1201.5106v2
2012-01-25
Effect of impurities on growth and morphology of cementite nanowires
Effects of doping on morphology of iron carbide (cementite) nanowires have been explored by first principle electronic structure calculations. We examined the role of several realistic impurities (Si, Mn, V, P and S) in the formation energies of the cementite nanowires with different sizes and morphologies. It is shown...
1201.5327v2
2012-01-26
Infrared emissivity spectroscopy of a soda-lime silicate glass up to the melt
The short-range structure of an iron doped soda-lime glass was investigated by infrared emissivity spectroscopy from room temperature up to the melt. Quantitative information on the distribution of the Q^n tetrahedral units was obtained by fitting the emissivity spectra using a dielectric function model (DFM). The DFM ...
1201.5676v1
2012-01-27
The effects of Vanadium on the strength of a bcc Fe Σ3(111)[1-10] grain boundary
The effects of micro-alloying element, vanadium, on a bcc Fe \Sigma 3(111)[1-10] symmetric tilt grain boundary strength are studied using density functional theory calculations. The lowest energy configuration of the grain boundary structure are obtained from the first-principles calculations. The substitutional and in...
1201.5915v1
2012-02-01
Theory of High-Tc Superconductivity: Transition Temperature
It is demonstrated that the transition temperature (Tc) of high-Tc superconductors is determined by their layered crystal structure, bond lengths, valency properties of the ions, and Coulomb coupling between electronic bands in adjacent, spatially separated layers. Analysis of 31 high-Tc materials (cuprates, ruthenates...
1202.0306v1
2012-02-03
Experimental and theoretical electronic structure of EuRh2As2
The Fermi surfaces (FS's) and band dispersions of EuRh2As2 have been investigated using angle-resolved photoemission spectroscopy. The results in the high-temperature paramagnetic state are in good agreement with the full potential linearized augmented plane wave calculations, especially in the context of the shape of ...
1202.0744v1
2012-02-12
Theory of High-Tc Superconductivity: Accurate Predictions of Tc
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in adjacent, spatially separated layers [1]. Optimal transition temperature, denot...
1202.2480v2
2012-02-16
Orbital Selective Magnetism in the Spin-Ladder Iron Selenides Ba$_{1-x}$K$_{x}$Fe$_2$Se$_3$
Here we show that the 2.80(8) {\mu}B/Fe block antiferromagnetic order of BaFe2Se3 transforms into stripe antiferromagnetic order in KFe2Se3 with a decrease in moment to 2.1(1) {\mu}B/Fe. This reduction is larger than expected from the change in electron count from Ba$^{2+}$ to K$^{+}$, and occurs with the loss of the d...
1202.3676v2
2012-02-19
High $T_c$ superconductivity at the FeSe/SrTiO$_3$ Interface
In a recent experiment the superconducting gap of a single unit cell thick FeSe film on SrTiO$_3$ substrate is observed by scanning tunneling spectroscopy and angle-resolved photoemission spectroscopy. The value of the superconducting gap is much larger than that of the bulk FeSe under ambient pressure. In this paper w...
1202.4141v2
2012-02-20
Observation of superconductivity at 30 K~46 K in AxFe2Se2 (A = Li, Na, Ba, Sr, Ca, Yb, and Eu)
New iron selenide superconductors by intercalating smaller-sized alkali metals (Li, Na) and alkaline earths using high-temperature routes have been pursued ever since the discovery of superconductivity at about 30 K in KFe2Se2, but all have failed so far. Here we demonstrate that a series of superconductors with enhanc...
1202.4340v2
2012-02-20
Antiferromagnetic Domain Wall Engineering in Chromium Films
We have engineered an antiferromagnetic domain wall by utilizing a magnetic frustration effect of a thin iron cap layer deposited on a chromium film. Through lithography and wet etching we selectively remove areas of the Fe cap layer to form a patterned ferromagnetic mask over the Cr film. Removing the Fe locally remov...
1202.4401v1
2012-02-21
A first-principles investigation on the effects of magnetism on the Bain transformation of $α$-phase FeNi systems
The effects of magnetism on the Bain transformation of $\alpha$-phase FeNi systems are investigated by using the full potential linearized augmented plane wave (FLAPW) method based on the generalized gradient approximation (GGA). We found that Ni impurity in bcc Fe increases the lattice constant in ferromagnetic (FM) s...
1202.4726v1
2012-02-23
Tuning magnetism in FeAs-based materials via tetrahedral structure
Resistivity, magnetic susceptibility, neutron scattering and x-ray crystallography measurements were used to study the evolution of magnetic order and crystallographic structure in single-crystal samples of the Ba1-xSrxFe2As2 and Sr1-yCayFe2As2 series. A non-monotonic dependence of the magnetic ordering temperature T0 ...
1202.5324v2
2012-02-24
Block magnetism coupled with local distortion in the iron-based spin-ladder compound BaFe2Se3
Magnetism in the insulating BaFe$_2$Se$_3$ was examined through susceptibility, specific heat, resistivity and neutron diffraction measurements. After formation of a short-range magnetic correlation, a long-range ordering was observed below $T_{\rm N}\sim 255$ K. The transition is obscured by bulk properties. Magnetic ...
1202.5371v1
2012-02-24
Nanoscale layering of antiferromagnetic and superconducting phases in Rb2Fe4Se5
We studied phase separation in a single-crystalline antiferromagnetic superconductor Rb2Fe4Se5 (RFS) using a combination of scattering-type scanning near-field optical microscopy (s-SNOM) and low-energy muon spin rotation (LE-\mu SR). We demonstrate that the antiferromagnetic and superconducting phases segregate into n...
1202.5446v2
2012-02-28
Conductance of non-ballistic point contacts in hybrid systems "normal metal/superconductor" Cu/Mo-C and Cu/LaOFFeAs
We consider the shape of the curves of "Andreev" conductance of non-ballistic point contact NS heterosystems depending on the bias voltage at the contact. The obtained shape of those curves is caused by the contribution from the mechanism of coherent scattering by impurities which doubles the scattering cross section. ...
1202.6173v1
2012-03-01
Macroscopic phase segregation in superconducting K0.73Fe1.67Se2 as seen by muon spin rotation and infrared spectroscopy
Using muon spin rotation (\muSR) and infrared spectroscopy we investigated the recently discovered superconductor K0.73Fe1.67Se2 with Tc = 32 K. We show that the combined data can be consistently described in terms of a macroscopically phase segregated state with a matrix of ~88% volume fraction that is insulating and ...
1203.0286v2
2012-03-03
Extension of the Wu-Jing equation of state (EOS) for highly porous materials: calculations to validate and compare the thermoelectron model
In order to verify and validate the newly developed thermoelectron equation of state (EOS) model that is based on the Wu-Jing (W-J) EOS, calculations of shock compression behavior have been made on five different porous metals-iron, copper, lead, tungsten, and aluminum-which are commonly used as standards. The model wa...
1203.0619v1
2012-03-07
The interplay of electron doping and chemical pressure in Ba(Fe(1-y)Coy)2(As(1-x)Px)2
The effects of internal chemical pressure on electron doped iron arsenide superconductors are studied in the series Ba(Fe(1-y)Coy)2(As(1-x)Px)2. Combinations of both dopants induce superconductivity also in such areas where only one would not suffice, and can likewise move the system into an overdoped state, while no h...
1203.1459v1
2012-03-12
Suppression of Superconductivity by Twin Boundaries in FeSe
Low-temperature scanning tunneling microscopy and spectroscopy are employed to investigate twin boundaries in stoichiometric FeSe films grown by molecular beam epitaxy. Twin boundaries can be unambiguously identified by imaging the 90{\deg} change in the orientation of local electronic dimers from Fe site impurities on...
1203.2629v2
2012-03-13
Coexistence and competition of the short-range incommensurate antiferromagnetic order with superconductivity in BaFe2-xNixAs2
Superconductivity in the iron pnictides develops near antiferromagnetism, and the antiferromagnetic (AF) phase appears to overlap with the superconducting phase in some materials such as BaFe2-xTxAs2 (where T = Co or Ni). Here we use neutron scattering to demonstrate that genuine long-range AF order and superconductivi...
1203.2759v2
2012-03-17
Magnetic Phase Transition and Relaxation Effects in LiFePO4
We report the observation of para - antiferromagnetic transition at ~ 50 K in lithium iron phosphate, LiFePO4 through DC magnetization and M\"ossbauer spectroscopy. The Ferrous ion Fe2+ (3d6, 5D) in LiFePO4 exhibits relaxation effects with a relaxation frequency ~1.076 \times 10(rise to 7) s-1 at 300 K. The temperature...
1203.3863v2
2012-03-19
Antiferromagnetic Order and Superconductivity in Sr4(Mg0.5-xTi0.5+x)2O6Fe2As2 with Electron Doping: 75As-NMR Study
We report an 75As-NMR study on iron (Fe)-based superconductors with thick perovskitetype blocking layers Sr4(Mg0.5-xTi0.5+x)2O6Fe2As2 with x=0 and 0.2. We have found that antiferromagnetic (AFM) order takes place when x=0, and superconductivity (SC) emerges below Tc=36 K when x=0.2. These results reveal that the Fe-pni...
1203.4190v1
2012-03-20
Phase soliton and pairing symmetry of a two-band superconductor: Role of the proximity effect
We suggest a mechanism which promotes the existence of a phase soliton -- topological defect formed in the relative phase of superconducting gaps of a two-band superconductor with s+- type of pairing. This mechanism exploits the proximity effect with a conventional s-wave superconductor which favors the alignment of th...
1203.4554v3
2012-03-25
First Principles Calculation of Helical Spin Order in Iron Perovskite SrFeO3 and BaFeO3
Motivated by recent discovery of ferromagnetism in cubic perovskite BaFeO3 under small magnetic field, we investigate spin order in BaFeO3 and isostructual SrFeO3 by the first principles calculation. The on-site Coulomb and exchange interactions are necessary for the helical spin order consistent with experiments. SrFe...
1203.5470v1
2012-03-26
Probing the role of Co substitution in the electronic structure of iron-pnictides
The role of Co substitution in the low-energy electronic structure of Ca(Fe$_{0.944}$Co$_{0.056}$)$_2$As$_2$ is investigated by resonant photoemission spectroscopy and density functional theory. The Co 3d-state center-of-mass is observed at 250 meV higher binding energy than Fe's, indicating that Co posses one extra va...
1203.5814v1
2012-03-28
Opening of the superconducting gap in the hole pockets of Ba(Fe(1-x)Co(x))2As2 as seen via Angle-Resolved PhotoElectron Spectroscopy
We present an Angle-Resolved PhotoElectron Spectroscopy study of the changes in the electronic structure of electron doped Ba(Fe(1-x)Co(x))2As2 across the superconducting phase transition. By changing the polarization of the incoming light, we were able to observe the opening of the gap for the inner hole pocket alpha,...
1203.6194v2
2012-04-02
Abrupt change in the energy gap of superconducting Ba1-xKxFe2As2 single crystals with hole doping
We performed a Laser angle-resolved photoemission spectroscopy (ARPES) study on a wide doping range of Ba1-xKxFe2As2 (BaK) and precisely determined the doping evolution of the superconducting (SC) gaps in this compound. The gap size of the outer hole Fermi surface (FS) sheet around the Brillioun zone (BZ) center shows ...
1204.0326v1
2012-04-02
Quantum critical point for stripe order: An organizing principle of cuprate superconductivity
A spin density-wave quantum critical point (QCP) is the central organizing principle of organic, iron-pnictide, heavy-fermion and electron-doped cuprate superconductors. It accounts for the superconducting Tc dome, the non-Fermi-liquid resistivity, and the Fermi-surface reconstruction. Outside the magnetically ordered ...
1204.0490v1
2012-04-03
A photonic crystal cavity-optical fiber tip nanoparticle sensor for biomedical applications
We present a sensor capable of detecting solution-based nanoparticles using an optical fiber tip functionalized with a photonic crystal cavity. When sensor tips are retracted from a nanoparticle solution after being submerged, we find that a combination of convective fluid forces and optically-induced trapping cause an...
1204.0818v1
2012-04-05
Gaseous Material Orbiting the Polluted, Dusty White Dwarf HE1349-2305
We present new spectroscopic observations of the polluted, dusty, helium-dominated atmosphere white dwarf star HE1349-2305. Optical spectroscopy reveals weak CaII infrared triplet emission indicating that metallic gas debris orbits and is accreted by the white dwarf. Atmospheric abundances are measured for magnesium an...
1204.1132v1
2012-04-04
Rare earth substitution in lattice-tuned Sr0.3Ca0.7Fe2As2 solid solutions
The effects of aliovalent rare earth substitution on the physical properties of Sr0.3Ca0.7Fe2As2 solid solutions are explored. Electrical transport, magnetic susceptibility and structural characterization data as a function of La substitution into (Sr_1-y_Ca_y)_1-x_La_x_Fe2As2 single crystals confirm the ability to sup...
1204.1335v2
2012-04-08
Two successive field-induced spin-flop transitions in single-crystalline CaCo$_{2}$As$_{2}$
CaCo$_{2}$As$_{2}$, a ThCr$_{2}$Si$_{2}$-structure compound, undergoes an antiferromagnetic transition at \emph{T$_{N}$}=76K with the magnetic moments being aligned parallel to the \emph{c} axis. Electronic transport measurement reveals that the coupling between conducting carriers and magnetic order in CaCo$_{2}$As$_{...
1204.1736v1
2012-04-09
Measurement of The Broad Line Region Size in a Luminous MACHO Quasar
We measure the broad emission line region (BLR) size of a luminous, L~1E47 erg/s, high-z quasar using broadband photometric reverberation mapping. To this end, we analyze ~7.5 years of photometric data for MACHO 13.6805.324 (z~1.72) in the B and R MACHO bands and find a time delay of 180+/-40 days in the rest frame of ...
1204.1862v1
2012-04-19
Plasma Pressure Driven Asymmetric Supernovae and Highly Collimated Gamma-Ray Bursts
During the process of collapse of a massive star, a cavity is generated between the central iron core and an outer stellar envelope. The dynamics of this cavity, filled with plasma and magnetic field of the rapidly rotating proto-magnetar's magnetosphere, is believed to be very relevant in understanding supernovae and ...
1204.4360v2
2012-04-23
Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition
We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound velocity, c/a lattice parameter ratio and M\"ossbauer center shift observed in our exper...
1204.5130v1
2012-05-03
Generalized joint density of states and its application to exploring the pairing symmetry of superconductors
We introduce a generalized joint density of states (GJDOS), which incorporates the coherent factor into the JDOS, to study quasiparticle interference (QPI) in superconductors. The intimate relation between the Fourier-transformed local density of states and GJDOS is revealed: they corre- spond respectively to the real ...
1205.0598v1
2012-05-03
Quenched Fe Moment in the Collapsed Tetragonal Phase of Ca$_{1-x}$Pr$_{x}$Fe$_2$As$_2$
We report $^{75}$As NMR studies on single crystals of rare-earth doped iron pnictides superconductor Ca$_{1-x}$Pr$_{x}$Fe$_{2}$As$_{2}$ ($x$=0.075 and 0.15). The $^{75}$As spectra show a chemical pressure effect with doping and a first order structure transition to the collapsed tetragonal phase upon cooling. A sharp d...
1205.0604v1
2012-05-09
Pseudo-potentials based first-principles approach to the magneto-optical Kerr effect: from metals to the inclusion of local fields and excitonic effects
We propose a first-principles scheme for the description of the magneto-optical kerr effect within density functional theory (DFT). Though the computation of Kerr parameters is often done within DFT, starting from the conductivity or the dielectric tensor, there is no formal justification to this choice. As a first s...
1205.1994v3
2012-05-14
Isotope shifts and hyperfine structure of the Fe I 373.7 nm resonance line
We report measurements of the isotope shifts of the 3d6 4s2 a 5D3 - 3d6 4s4p z 5F4o FeI resonance line at 373.7 nm between all four stable isotopes 54Fe, 56Fe, 57Fe and 58Fe, as well as the complete hyperfine structure of that line for 57Fe, the only stable isotope having a non-zero nuclear spin. The field and specific...
1205.3146v1
2012-05-17
Interstellar Dust Close to the Sun
The low density interstellar medium (ISM) close to the Sun and inside of the heliosphere provides a unique laboratory for studying interstellar dust grains. Grain characteristics in the nearby ISM are obtained from observations of interstellar gas and dust inside of the heliosphere and the interstellar gas towards near...
1205.4017v1
2012-05-19
Iron spin-reorientation transition in NdFeAsO
The low-temperature magnetic structure of NdFeAsO has been revisited using neutron powder diffraction and symmetry analysis using the Sarah representational analysis program. Four magnetic models with one magnetic variable for each of the Nd and Fe sublattices were tested. The best fit was obtained using a model with F...
1205.4312v1
2012-05-22
Theory of nonequilibrium dynamics of multiband superconductors
We study the nonequilibrium dynamics of multiband BCS superconductors subjected to ultrashort pump pulses. Using density-matrix theory, the time evolution of the Bogoliubov quasiparticle densities and the superconducting order parameters are computed as a function of pump pulse frequency, duration, and intensity. Focus...
1205.4861v2
2012-05-23
Bulk electronic structure of superconducting LaRu2P2 single crystals measured by soft x-ray angle-resolved photoemission spectroscopy
We present a soft X-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the stoichiometric pnictide superconductor LaRu2P2. The observed electronic structure is in good agreement with density functional theory (DFT) calculations. However, it is significantly different from its counterpart in high-temperat...
1205.5216v1
2012-05-23
Electronic phase diagram of disordered Co doped BaFe2As2
Superconducting and normal state transport properties in iron pnictides are sensitive to disorder and impurity scattering. By investigation of Ba(Fe1-xCox)2As2 thin films with varying Co concentration, we demonstrate that in the dirty limit the superconducting dome in the electronic phase diagram of Ba(Fe1-xCox)2As2 sh...
1205.5219v3
2012-05-25
Superconductivity at Tc = 44 K in LixFe2Se2(NH3)y
Following a recent proposal by Burrard-Lucas et al. [unpublished, arXiv: 1203.5046] we intercalated FeSe by Li in liquid ammonia. We report on the synthesis of new LixFe2Se2(NH3)y phases as well as on their magnetic and superconducting properties. We suggest that the superconducting properties of these new hybride mate...
1205.5731v1
2012-05-31
Superconducting Fluctuations and Anomalous Phonon Renormalization much above superconducting transition temperature in Ca4Al2O5.7Fe2As2
Raman studies on Ca4Al2O5.7Fe2As2 superconductor in the temperature range of 5 K to 300 K, covering the superconducting transition temperature Tc ~ 28.3 K, reveal that the Raman mode at ~ 230 cm-1 shows a sharp jump in frequency by ~ 2 % and linewidth increases by ~ 175 % at To ~ 60 K. Below To, anomalous softening of ...
1205.7033v1
2012-06-03
Importance of many body effects in the kernel of hemoglobin for ligand binding
We propose a mechanism for binding of diatomic ligands to heme based on a dynamical orbital selection process. This scenario may be described as bonding determined by local valence fluctuations. We support this model using linear-scaling first-principles calculations, in combination with dynamical mean-field theory, ap...
1206.0412v2
2012-06-08
Substituent Effects on the Spin-Transition Temperature in Complexes with Tris(pyrazolyl) Ligands
Iron (II) complexes with substituted tris(pyrazolyl) ligands, which exhibit a thermally driven transition from a low-spin state at low temperatures to a high-spin state at elevated temperatures, have been studied by M\"ossbauer spectroscopy and magnetic susceptibility measurements. From the observed spectra the molar h...
1206.1883v1
2012-06-10
Anomalous impurity effects in the iron-based superconductor KFe$_2$As$_2$
High-quality K(Fe$_{1-x}$Co$_x$)$_2$As$_2$ single crystals have been grown by using KAs flux method. Instead of increasing the superconducting transition temperature $T_{\rm c}$ through electron doping, we find that Co impurities rapidly suppress $T_{\rm c}$ down to zero at only $x \approx$ 0.04. Such an effective supp...
1206.2030v3
2012-06-11
Diffusion of hydrogen within idealised grains of bcc-Fe: A kinetic Monte Carlo study
Structural defects in materials such as vacancies, grain boundaries, and dislocations may trap hydrogen and a local accumulation of hydrogen at these defects can lead to the degradation of the materials properties. An important aspect in obtaining insight into hydrogen induced embrittlement on the atomistic level is to...
1206.2314v1
2012-06-12
Electric field control of magnetic exchange coupling
Electric control of magnetism is a vision which drives intense research on magnetic semiconductors and multiferroics. Recently, also ultrathin metallic films were reported to show magnetoelectric effects at room temperature. Here we demonstrate much stronger effects by exploiting reduction/oxidation reactions in a natu...
1206.2467v3
2012-06-13
Mn local moments prevent superconductivity in iron-pnictides Ba(Fe 1-x Mn x)2As2
75As nuclear magnetic resonance (NMR) experiments were performed on Ba(Fe1-xMnx)2As2 (xMn = 2.5%, 5% and 12%) single crystals. The Fe layer magnetic susceptibility far from Mn atoms is probed by the75As NMR line shift and is found similar to that of BaFe2As2, implying that Mn does not induce charge doping. A satellite ...
1206.2741v2
2012-06-15
Pressure-induced changes of the vibrational modes of spin-crossover complexes studied by nuclear resonance scattering of synchrotron radiation
Nuclear inelastic scattering (NIS) spectra were recorded for the spin-crossover complexes STP and ETP (STP = [Fe(1,1,1-trisf[N-(2-pyridylmethyl)-N-methylamino]methylg- ethane)](ClO4)2 and ETP = [Fe(1,1,1-trisf[N-(2-pyridylmethyl)-N-methylamino]methylg-butane)](ClO4)2) at 30 K and at room temperature and also at ambient...
1206.3451v1
2012-06-20
Evolution of band structure from optimally doped to heavily overdoped Co-substituted NaFeAs
Using angle-resolved photoemission spectroscopy, we studied the electronic structure of NaFe$_{1-x}$Co$_x$As from an optimally doped superconducting compound ($x=0.028$) to a heavily overdoped non-superconducting one ($x=0.109$). Similar to the case of "122" type iron pnictides, our data suggest that Co dopant in NaFe$...
1206.4402v1
2012-06-27
BaFe2Se2O as an Iron-Based Mott Insulator with Antiferromagnetic Order
A new compound with a quasi-two-dimensional array of FeSe3O tetrahedra and an orthorombic structure, namely BaFe2Se2O, has been successfully fabricated. Experimental results show that this compound is an insulator and has an antiferromagnetic (AF) transition at 240 K. Band structure calculation reveals the narrowing of...
1206.6154v3
2012-06-27
Effect of Ru susbstitution on atomic displacements in the layered SmFe_{1-x}Ru_xAsO_{0.85}F_{0.15} superconductor
The effect of Ru substitution on the local structure of layered SmFe$_{1-x}$Ru$_x$AsO$_{0.85}$F$_{0.15}$ superconductor has been studied by As $K$- and Sm $L_3$ - edges x-ray-absorption spectroscopy. The extended x-ray-absorption fine-structure measurements reveal distinct Fe-As and Ru-As bondlengths in the Ru substitu...
1206.6526v1
2012-06-29
Ferromagnetism and superconductivity in P-doped CeFeAsO
We report on superconductivity in CeFeAs1-xPxO and the possible coexistence with Ce- ferromagnetism (FM) in a small homogeneity range around x = 30% with ordering temperatures of T_SC = T_C = 4K. The antiferromagnetic (AFM) ordering temperature of Fe at this critical concentration is suppressed to T^N_Fe ~ 40K and does...
1206.7088v2
2012-07-02
Germanium, Arsenic, and Selenium Abundances in Metal-Poor Stars
The elements germanium (Ge, Z=32), arsenic (As, Z=33), and selenium (Se, Z=34) span the transition from charged-particle or explosive synthesis of the iron-group elements to neutron-capture synthesis of heavier elements. Among these three elements, only the chemical evolution of germanium has been studied previously. H...
1207.0518v1
2012-07-03
Updated Atomic Data and Calculations for X-ray Spectroscopy
We describe the latest release of AtomDB, version 2.0.2, a database of atomic data and a plasma modeling code with a focus on X-ray astronomy. This release includes several major updates to the fundamental atomic structure and process data held within AtomDB, incorporating new ionization balance data, state-selective r...
1207.0576v1
2012-07-05
Spin reorientation in TlFe1.6Se2 with complete vacancy ordering
The relationship between vacancy ordering and magnetism in TlFe1.6Se2 has been investigated via single crystal neutron diffraction, nuclear forward scattering, and transmission electron microscopy. The examination of chemically and structurally homogenous crystals allows the true ground state to be revealed, which is c...
1207.1318v2
2012-07-06
Two-band superconductivity featuring different anisotropies in the ternary iron silicide Lu$_{2}$Fe$_{3}$Si$_{5}$
We report detailed studies of the upper critical field and low-temperature specific heat in the two-gap superconductor Lu$_{2}$Fe$_{3}$Si$_{5}$. The anisotropy of the upper critical field suggests that the active band is quasi-one-dimensional. Low-temperature specific heat in magnetic fields reveals that the virtual $H...
1207.1502v1
2012-07-08
Emergent Phases of Nodeless and Nodal Superconductivity Separated by Antiferromagnetic Order in Iron-based Superconductor (Ca4Al2O6)Fe2(As1-xPx)2: 75As- and 31P-NMR Studies
We report $^{31}$P- and $^{75}$As-NMR studies on (Ca$_4$Al$_2$O$_{6}$)Fe$_2$(As$_{1-x}$P$_x$)$_2$ with an isovalent substitution of P for As. We present the novel evolution of emergent phases that the nodeless superconductivity (SC) in 0$\le x \le$0.4 and the nodal one around $x$=1 are intimately separated by the onset...
1207.1920v2
2012-07-09
Time-Dependent Density Diagnostics of Solar Flare Plasmas Using SDO/EVE
Temporally-resolved electron density measurements of solar flare plasmas are presented using data from the EUV Variability Experiment (EVE) onboard the Solar Dynamics Observatory (SDO). The EVE spectral range contains emission lines formed between 10^4-10^7 K, including transitions from highly ionized iron (>10 MK). Us...
1207.1990v1
2012-07-10
Magnetism in parent Fe-chalcogenides: quantum fluctuations select a plaquette order
We analyze magnetic order in iron-chalcogenide Fe$_{1+y}$Te -- the parent compound of high-temperature superconductor Fe$_{1+y}$Te$_{1-x}$Se$_x$. Neutron scattering experiments show that magnetic order in this material contains components with momentum $Q_1=(\pi/2, \pi/2)$ and $Q_2 =(\pi/2, -\pi/2)$ in Fe-only Brilloui...
1207.2201v2
2012-07-16
CVD Synthesis of Small-Diameter Single Walled Carbon Nanotubes on Silicon
A simple process for chemical vapor deposition of ultra SD single wall carbon nanotubes has been developed. In this process, an iron nitrate nonahydrate solution in isopropyl alcohol with a concentration of 400 ug/mlit was used to catalyze nanoparticles formation on an oxidized silicon wafer. The oxide on the substrate...
1207.3555v1
2012-07-16
Infrared Measurement of the Pseudogap in P-Doped and Co-Doped BaFe2As2 High-Temperature Superconductors
We report on infrared studies of charge dynamics in a prototypical pnictide system: the BaFe2As2 family. Our experiments have identified hallmarks of the pseudogap state in the BaFe2As2 system that mirror the spectroscopic manifestations of the pseudogap in the cuprates. The magnitude of the infrared pseudogap is in ac...
1207.3567v1
2012-07-17
Magneto-elastically coupled structural, magnetic and superconducting order parameters in BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$
We measure the transport properties of mechanically strained single crystals of BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ over a wide range of $x$. The N\'eel transition is extremely sensitive to stress and this sensitivity increases as optimal doping is approached, even though the transition itself is strongly suppressed. F...
1207.3858v1
2012-07-17
Non-Fermi Liquid behavior at the Orbital Ordering Quantum Critical Point in the Two-Orbital Model
The critical behavior of a two-orbital model with degenerate $d_{xz}$ and $d_{yz}$ orbitals is investigated by multidimensional bosonization. We find that the corresponding bosonic theory has an overdamped collective mode with dynamical exponent $z=3$, which appears to be a general feature of a two-orbital model and be...
1207.4206v2
2012-07-18
Bound States of Defects in Superconducting LiFeAs Studied by Scanning Tunneling Spectroscopy
Defects in LiFeAs are studied by scanning tunneling microscopy (STM) and spectroscopy (STS). Topographic images of the five predominant defects allow the identification of their position within the lattice. The most commonly observed defect is associated with an Fe site and does not break the local lattice symmetry, ex...
1207.4249v2
2012-07-18
Detection of Iron Kα Emission from a Complete Sample of Submillimeter Galaxies
We present an X-ray stacking analysis of a sample of 38 submillimeter galaxies with <z>=2.6 discovered at >4{\sigma} significance in the Lockman Hole North with the MAMBO array. We find a 5{\sigma} detection in the stacked soft band (0.5-2.0 keV) image, and no significant detection in the hard band (2.0-8 keV). We also...
1207.4486v1
2012-07-27
Evidence for a cos(4\varphi) Modulation of the Superconducting Energy Gap of Optimally Doped FeTe_{0.6}Se_{0.4} Single Crystals Using Laser Angle-Resolved Photoemission Spectroscopy
We study the superconducting(SC)-gap anisotropy of the \Gamma-centered hole Fermi surface in optimally doped FeTe_{0.6}Se_{0.4} (T_c = 14.5 K), using laser-excited angle-resolved photoemission spectroscopy (ARPES). We observe sharp superconducting coherence peaks at T = 2.5 K. In contrast to earlier ARPES studies but c...
1207.6571v3
2012-07-28
Self-doping effect and possible antiferromagnetism at titanium-layers in the iron-based superconductor Ba$_2$Ti$_2$Fe$_2$As$_4$O
The electronic structure of Ba$_2$Ti$_2$Fe$_2$As$_4$O, a newly discovered superconductor, is investigated using first-principles calculations based on local density approximations. Multiple Fermi surface sheets originating from Ti-3$d$ and Fe-3$d$ states are present corresponding to the conducting Ti$_2$As$_2$O and Fe$...
1207.6705v1
2012-07-29
Dynamic approach to finite-temperature magnetic phase transitions in the extended J1- J2 model with vacancy order
The recently discovered iron-based superconductors A$_{y}$Fe$_{2-x}$Se$_{2}$ ($A$=K, Rb, Cs, Tl) show a long-range antiferromagnetic order with an unexpected high transition temperature $T_N \sim 550$ K and a unique $\sqrt{5} \times \sqrt{5}$ vacancy order. Taking the extended $J_1$-$J_2$ model as a minimal model, we i...
1207.6740v3
2012-07-29
Quantum Criticality Stabilizes High T_c Superconductivity Against Competing Symmetry-Breaking Instabilities
The occurrence of high-T_c superconductivity in systems including the cuprates and the iron-based superconductors, is known to coincide with the existence of anomalous normal-state properties which have been associated with quantum criticality. We argue here that this observation results from the fact that quantum crit...
1207.6789v1
2012-08-06
Spin-state Crossover Model for the Magnetism of Iron Pnictides
We propose a minimal model describing magnetic behavior of Fe-based superconductors. The key ingredient of the model is a dynamical mixing of quasi-degenerate spin states of Fe2+ ion by intersite electron hoppings, resulting in an effective local spin Seff. The moments Seff tend to form singlet pairs, and may condense ...
1208.1197v3
2012-08-07
Anisotropic electrical resistivity of LaFeAsO: evidence for electronic nematicity
Single crystals of LaFeAsO were successfully grown out of KI flux. Temperature dependent electrical resistivity was measured with current flow along the basal plane, \rho_perpend(T), as well as with current flow along the crystallographic c-axis, \rho_parallel(T), the latter one utilizing electron beam lithography and ...
1208.1480v3