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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 that in other Ce-based HF metamagnets, H_M in these metamagnets is linearly proportional to the inverse of the effective mass, or to the temperature where the susceptibility shows a peak. This finding suggests that H_M is a magnetic field breaking the local Kondo singlet, and the critical behavior around H_M is driven by the Kondo breakdown accompanied by the Fermi-surface instability.
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 parameters in {\gamma}-Fe are very sensitive to the lattice distortions, leading to the ferromagnetic ground state for the tetragonal deformation or increase of the volume cell. At the same time, the magnetic-structure-independent part of the total energy changes very slowly with the tetragonal deformations. The computational results demonstrate a strong mutual dependence of crystal and magnetic structures in Fe and explain the observable "anti-Invar" behavior of thermal expansion coefficient in {\gamma}-Fe.
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. The electrostatic component is introduced to the model through atomic charges of the protein force field. The overall effect of the electrostatic fluctuations of the network is recorded through the frequency-dependent response functions of the electrostatic potential and electric field at the active site. We also consider the dynamics of displacements of individual residues in the network and the dynamics of distances between pairs of residues. The model is tested against loss spectra of residue displacements and the electrostatic potential and electric field at the heme's iron from all-atom molecular dynamics simulations of three hydrated globular proteins.
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 a strong-pairing mechanism: although pairing bosons create a symmetry-breaking instability which suppresses pairing, the combination of these broken-symmetry states within the critical regime can restore this symmetry for the paired quasiparticles. This condition is shown to be met within a large-U ansatz. A hidden quantum phase transition then arises between a Fermi-liquid and a non-Fermi-liquid broken-symmetry striped state, and a critical regime in which the broken-symmetry states are combined.
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 mechanics could be taken seriously, but ironically, in order to really do so, one would have to take seriously also some of Lorentz critics to special relativity - both in a possibly more modern way; such interconnection possibly having been a blocking factor to openly discuss some of the cross implications of alternative views about quantum mechanics to date. (2) The probabilistic interpretation is a by-product of (a) quantum evolution equations, (b) conservation laws for the combination of measuring system and measured object and (c) persistency of calibration of the measuring system - as such there is no intellectual conflict whatsoever between hidden variables theories and probabilistic interpretation, provided we consider multicomponent hidden variable models and we allow for the existence of an underlying network. The implications of such concepts, in particular for the development of a microscopic quantisation program, are heuristically discussed or preliminarily explored.
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 hyperfine (hf) field but no change in the magnetic volume fraction below $T_C$. This clearly indicates the coexistence of magnetism and superconductivity in these compounds. The decrease in the magnetic hf field below $T_C$ depends on the difference between $T_N$ and $T_C$, being the largest for $T_N$ close to $T_C$. Two different explanations for this observation are given. We also find that the non-magnetic volume fraction below $T_N$ correlates with the Ni doping $x$, being large for high $T_C$ and small for high $T_N$.
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 superconductivity was found to evolve into bulk superconductivity. Interestingly, for O2-annealed samples, complete suppression of magnetic order and the occurrence of bulk superconductivity were observed when x \geq 0.1. We found that O2-annealing induces bulk superconductivity for FeTe1-xSex. Oxygen probably plays a key role in the suppression of the magnetic order and the appearance of bulk superconductivity.
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 +/- 0.02 and <[Fe/H]>=-0.21 +/- 0.02 dex, with a 1-sigma dispersion of 0.09+/- 0.016 for the (l,b)=(0,-1.75) and (l,b)=(1,-2.65) deg fields, respectively. In agreement with all prior studies, we find enhanced [alpha/Fe] of +0.3 dex. We confirm the lack of any major vertical abundance or composition gradient in the innermost ~600 pc between Baade's window and 150 pc from the Galactic plane. We also confirm that the known enhancement of alpha elements observed between 500 and 1000 pc from the nucleus is also present over the volume of the inner bulge and may therefore be presumed to be a general characteristic of bulge/bar stars within 1 kpc of the Galactic Center.
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, composed of magnetic tunnel junction (MTJ) and organometallic molecular clusters (OMCs). A prefabricated MTJ with exposed side edges, after enabling the bridging of OMC channels between its two ferromagnetic films, exhibited following phenomenon (i) dramatic increase in exchange coupling, (ii) 3-6 orders current suppression and (iii) photovoltaic effect. This paper focuses on the photovoltaic effect. Control experiments on isolated ferromagnetic films suggested that OMCs neither affected the magnetic properties nor produced any photovoltaic effect; photovoltaic effect was only observed on the ferromagnetic films serving as magnetic electrodes in a MTJ. Present paper invites further investigation of the similar photovoltaic effect on other combinations of MTJs and promising magnetic molecules, like single molecular magnets, organometallic clusters and porphyrins. This research can lead to mass producible and economical spin photovoltaic devices.
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 exploiting the difference in the temperature dependent behaviors, we were able to separate OO and structure contributions to XLD. The observed OO signal indicates different occupation numbers for $d_{yz}$ and $d_{zx}$ orbitals and supports existence of a ferro-OO. The results are also consistent with the theoretical prediction. Moreover, we find substantial OO signal above the transition temperature, which suggests that OO fluctuation exists well above the transition temperature.
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 these constraints is linear in the total number of bidder types. In addition, we provide a characterization result showing that every feasible reduced form can be induced by an ex-post allocation rule that is a distribution over ironings of the same total ordering of the union of all bidders' types. We show how to leverage our results for single-item reduced forms to design auctions with heterogeneous items and asymmetric bidders with valuations that are additive over items. Appealing to our constructive Border's theorem, we obtain polynomial-time algorithms for computing the revenue-optimal auction. Appealing to our characterization of feasible reduced forms, we characterize feasible multi-item allocation rules.
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+/+ symmetry of the superconducting order parameter in the studied compound. The infrared reflectivity spectra of Ba(Fe0.9Co0.1)2As2 manifest opening of several superconducting gaps at temperatures lower than critical Tc.
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 four broad intense absorption bands are distinguished. The absorption spectra are analyzed taking into account the unusual fivefold coordination of the Fe(3+) ion. Temperature dependence of the optical absorption at 4.9 eV shows anomaly at 124 K, which we attribute to magnetic ordering of iron sublattices.
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 exhibit very large (up to 90%) relaxations of the first four interlayer distances, decreasing with the oxide layer depth. Our calculations predict the iron terminated surface to be most stable in a wide range of the accessible values of the oxygen chemical potential. The adsorption of Au and Pd on two stable Fe- and O-terminated surfaces is studied. Our results show that Pd binds stronger than Au both to the Fe- and O-terminated surface. DFT+$U$ gives stronger bonding than DFT. The bonding of both adsorbates to the O-terminated magnetite surface is by 1.5-2.5 eV stronger than to the Fe-terminated surface.
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 the interaction between vortices should be isotropic. The temperature dependence of the penetration depth observd with an applied field parallel and perpendicular to c-axis are different. These results can be accounted for by a superconducting gap function with a horizontal line node in the basal plane.
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^+ (similar to \mu^- chains), where \nu_e to \nu_\mu\ and \bar{\nu}_\mu\ to \bar{\nu}_\mu\ are neutrino oscillation channels through a long baseline. First, we perform the baseline and energy optimization of the neutrino factory including the latest simulation results from the magnetized iron neutrino detector (MIND). Second, we study physics with near detectors and consider the treatment of systematic errors including cross section errors, flux errors, and background uncertainties. Third, the effects of one additional massive sterile neutrino are investigated in the context of near and far detector combinations.
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 quenching, while the remaining part of the ingot decomposed. As-grown single crystals commonly represent an intergrowth of two sets of the c-axis characterized by slightly different lattice constants. Single crystal of K0.80Fe1.81Se2 shows a superconducting transition at Tc = 31.6 K, leading to a near 100% expulsion of the external magnetic field in magnetization measurements. On the other hand, neutron-diffraction data indicate that superconductivity in the sample coexists with a iron-vacancy superstructure and static antiferromagnetic order. The anisotropic ratio of the upper critical field Hc2 for both H//c and H//ab configurations is \sim3.46.
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 17 metal absorption lines, we derive a 2 sigma upper limit on the DLA's kinetic temperature of T_DLA <= 4700 K, which is broadly consistent with the range of spin temperature estimates for DLAs at this redshift and metallicity. While the best-fitting abundance pattern shows the expected hallmarks of Population III nucleosynthesis, models of high-mass Population II stars can match the abundance pattern almost as well. We discuss current limitations in distinguishing between these two scenarios and the marked improvement in identifying the remnants of Population III stars expected from the forthcoming generation of 30-metre class telescopes.
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 clusters is part of a program to search for planets around giant stars. The results show that the 18 clusters cover a metallicity range between -0.23 and +0.23 dex. Together with the derivation of the stellar masses, these metallicities will allow the metallicity and mass effects to be disentangled when analyzing the frequency of planets as a function of these stellar parameters.
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 field splittings or when bandwidths, orbital degeneracies and magnetic states are equal for both orbitals provided the orbitals have different band dispersions. Such conditions should be generally satisfied in many materials. We find that this OSPT is not sensitive to the strength of Hund's rule coupling and that heavy doping favors the collinear antiferromagnetic state over the OSPT. We discuss our results in relation to the iron pnictides.
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 nature, already noticed on silicon molybdenum cast iron, TiNi shape memory alloy and 304L stainless steel, of dissipated energy, corrected or not with hydrostatic pressure, according to the number of cycles to failure. This study also highlights that, firstly, the dissipated energy model is here more adequate to estimate low-cycle fatigue life and that, secondly, intrinsic parameters like microstructure as well as extrinsic parameters like temperature or strain ratio have an impact on prediction results.
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 contribution in the atomic driving forces behind the chemical composition in Fe-Cr alloyed with Al, Ti, V, Mn, Co, Ni, and Mo. Using the ab initio exact muffin-tin orbitals method and an Ising-type spin model, it is found that the magnetic moment of the solute atom combined with the induced changes in the magnetic moments of the host atoms form the main framework in determining the mixing energy and chemical potentials of low-Cr Fe-Cr based alloys. The results obtained in the present work are related to tuning of the microstructure and corrosion protection of low-Cr steels.
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-Landau dynamics coupled via an additional term in the total free energy density. This term stems from the multiferroic interaction at the interface. For a wide range of strengths of this coupling we predict the possibility of obtaining a well-developed hysteresis in the ferromagnetic part of the system induced by an external electric field. The dependence of the reversal modes on the electric field frequency is also investigated and we predict a considerable stability of the magnetization reversal for frequencies in the range of 0.5 - 12 [GHz].
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 group Cc. The computed density distribution for minority spin electron states close to the Fermi level demonstrates that charge order and Fe2+-orbital order are present at the B-type lattice sites to a first-approximation. However, Fe2+/Fe3+ charge differences are diminished through weak bonding interactions of the Fe2+-states to specific pairs of neighboring iron sites that create linear, three-B-atom trimeron units that may be regarded as 'orbital molecules'. Trimerons are ordered evenly along most Fe atom chains in the Verwey structure, but more complex interactions are observed within one chain.
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 that the presence of the impurities decreases the formation energy and can switch the preferable axis of the cementite nanowire growth. The conditions of the formation and decomposition of cementite nanowires in steels are also discussed.
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 is based on causal Gaussian bands, associated with the stretching motions of the silicate tetrahedra. The changes in the absorption modes are related to the activation of a dynamical disorder that continuously increases with temperature. The obtained Q^n speciation at room temperature is in good agreement with the magic-angle spinning nuclear magnetic resonance (MAS NMR) study. The distribution of the tetrahedral species undergoes slight changes with temperature, except during glass crystallization where Q^4 units increases, with a slight augmentation of Q^2 and Q^4 units in the melt. These results demonstrate the potentiality of infrared spectroscopy in the quantitative analysis of the polymerization degree of glasses and melts.
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 interstitial point defect formation energies of vanadium in the grain boundary are compared. The substitutional defect is prefered to interstitial one. The segregation energies of vanadium onto the grain boundary and its fractured surfaces are computed. The cohesive energy calculation of the grain boundary with and without vanadium show that vanadium strengthen the bcc iron \Sigma 3(111)[1-10] grain boundary.
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, rutheno-cuprates, iron pnictides, organics) yields the universal relationship for optimal compounds, kBTc0 = {\beta}/\ell{\zeta}, where \ell is related to the mean spacing between interacting charges in the layers, {\zeta} is the distance between interacting electronic layers, {\beta} is a universal constant and Tc0 is the optimal transition temperature (determined to within an uncertainty of +/- 1.4 K by this relationship). Non-optimum compounds, in which sample degradation is evident, e.g. by broadened superconducting transitions and diminished Meissner fractions, typically exhibit reduced Tc < Tc0. It is shown that Tc0 may be obtained from an average of Coulomb interaction forces between the two layers.
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 the two-dimensional FS's and band dispersion around the Gamma (0,0) and X (pi,pi) points. Interesting changes in band folding are predicted by the theoretical calculations below the magnetic transition temperature Tn=47K. However, by comparing the FS's measured at 60K and 40K, we did not observe any signature of this transition at the Fermi energy indicating a very weak coupling of the electrons to the ordered magnetic moments or strong fluctuations. Furthermore, the FS does not change across the temperature (~ 25K) where changes are observed in the Hall coefficient. Notably, the Fermi surface deviates drastically from the usual FS of the superconducting iron-based AFe2As2 parent compounds, including the absence of nesting between the Gamma and X FS pockets.
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, denoted as T_c0, is given by the universal expression $k_BT_c0 = e^2 \Lambda / \ell\zeta$; $\ell$ is the spacing between interacting charges within the layers, \zeta is the distance between interacting layers and \Lambda is a universal constant, equal to about twice the reduced electron Compton wavelength (suggesting that Compton scattering plays a role in pairing). Non-optimum compounds in which sample degradation is evident typically exhibit Tc < T_c0. For the 31+ optimum compounds tested, the theoretical and experimental T_c0 agree statistically to within +/- 1.4 K. The elemental high Tc building block comprises two adjacent and spatially separated charge layers; the factor e^2/\zeta arises from Coulomb forces between them. The theoretical charge structure representing a room-temperature superconductor is also presented.
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 displacements of Fe atoms from ideal positions in the ladders, as found by neutron pair distribution function analysis. Intermediate compositions remain insulating, and magnetic susceptibility measurements show a suppression of magnetic order and probable formation of a spin-glass. Together, these results imply an orbital-dependent selection of magnetic versus bonded behavior, driven by relative bandwidths and fillings.
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 we study the effects of screening due to the ferroelectric phonons on Cooper pairing. We conclude it can significantly enhance the energy scale of Cooper pairing and even change the pairing symmetry. Our results also raise some concerns on whether phonons can be completely ignored for bulk iron-based superconductors.
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 enhanced Tc=30~46 K can be obtained by intercalating metals, Li, Na, Ba, Sr, Ca, Yb, and Eu in between FeSe layers by the ammonothermal method at room temperature. Analysis on their powder X-ray diffraction patterns reveals that all the main phases can be indexed based on body-centered tetragonal lattices with a~3.755-3.831 {\AA} while c~15.99-20.54 {\AA}. Resistivities show the corresponding sharp transitions at 45 K and 39 K for NaFe2Se2 and Ba0.8Fe2Se2, respectively, confirming their bulk superconductivity. These findings provide a new starting point for studying the properties of these superconductors and an effective synthetic route for the exploration of new superconductors as well.
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 removes magnetic frustration in user-defined regions of the Cr film. We present x-ray microdiffraction microscopy results confirming the formation of a 90{\deg} spin-density wave propagation domain wall in Cr. This domain wall nucleates at the boundary defined by our Fe mask.
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) states, but not in the nonmagnetic (NM) states. The shear modulus $G$ and Young's modulus $E$ of bcc Fe are also increased by raising the concentration of nickel. All the compositions considered show high shear anisotropy and the ratio of the bulk to shear modulus is greater than 1.75 implying ductility. The mean sound velocities in the $[100]$ directions are greater than in the $[110]$ directions. The Bain transformation, which is a component of martensitic transformation, has also been studied to reveal that Ni$_{x}$Fe$_{1-x}$ alloys are elastically unstable in the NM states, but not so in the FM states. The electronic structures explain these results in terms of the density of states at the Fermi level. It is evident that magnetism cannot be neglected when dealing with the Bain transformation in iron and its alloys.
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 on chemical pressure is compared to the progression of the antiferromagnetic staggered moment, characteristics of the ordering transition and structural parameters to reveal a distinct relationship between the magnetic energy scale and the tetrahedral bond angle, even far above T0. In Sr1-yCayFe2As2, an abrupt drop in T0 precisely at the Ca concentration where the tetrahedral structure approaches the ideal geometry indicates a strong coupling between the orbital bonding structure and the stabilization of magnetic order, providing strong constraints on the nature of magnetism in the iron-arsenide superconducting parent compounds.
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 moments ($\parallel a$) are arranged to form a Fe$_4$ ferromagnetic unit, and each Fe$_4$ stacks antiferromagnetically. This block magnetism is of the third type among magnetic structures of ferrous materials. The magnetic ordering drives unusually large distortion via magnetoelastic coupling.
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 nanometer-thick layers perpendicular to the iron-selenide planes, while the characteristic in-plane size of the metallic domains reaches 10 \mu m. By means of LE-\mu SR we further show that in a 40-nm thick surface layer the ordered antiferromagnetic moment is drastically reduced, while the volume fraction of the paramagnetic phase is significantly enhanced over its bulk value. Self-organization into a quasiregular heterostructure indicates an intimate connection between the modulated superconducting and antiferromagnetic phases.
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. The behavior of generalized and differential conductance is compared for ballistic and non-ballistic transport regimes. The criteria are considered allowing one to discriminate between those regimes with the corresponding conduction curves similar in appearance. The analysis is extended to the case of non-ballistic transport in NS point contacts with exotic superconductors, molybdenum carbide Mo-C and oxypnictide La[O$_{1-x}$F$_{x}$]FeAs from a group of iron-based superconductors.
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 strongly magnetic and inclusions with a ~12% volume fraction which are metallic, superconducting and non-magnetic. The electronic properties of the latter, in terms of the normal state plasma frequency and the superconducting condensate density, appear to be similar as in other iron selenide or arsenide superconductors.
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 was used to calculate the Hugoniot, shock temperature, sound velocity, and unloading isentrope for these materials and comparisons were made to previous calculations and available data. Based on these comparisons, it is felt that the model provides information in good agreement with the corresponding experimental and theoretical data published previously. This suggests that the new model can satisfactorily describe the properties of shocked porous materials over a wide range of pressure and porosity.
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 higher critical temperature than 31 K in BaFe2(As(1-x)Px)2 was found. The phase diagram gives no evidence of holes in BaFe2(As(1-x)Px)2 as suggested by recent photoemission experiments. Chemical and physical pressure act similarly in Ba(Fe(1-y)Coy)2(As(1-x)Px)2, but our data reveal that the most important control parameter is the length of the Fe-As bond and not the unit cell volume. This emphasizes that differences between chemical and physical pressure which manifest oneself as the non-linear reduction of the Fe-As distance in BaFe2(As(1-x)Px)2 are strongly linked to the superconducting properties also in the Co doped compounds.
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 either side. Twin boundaries run at approximately 45{\deg} to the Fe-Fe bond directions, and noticeably suppress the superconducting gap, in contrast with the recent experimental and theoretical findings in other iron pnictides. Furthermore, vortices appear to accumulate on twin boundaries, consistent with the degraded superconductivity there. The variation in superconductivity is likely caused by the increased Se height in the vicinity of twin boundaries, providing the first local evidence for the importance of this height to the mechanism of superconductivity.
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 superconductivity do not coexist in BaFe2-xNixAs2 near optimal superconductivity. In addition, we find a first-order-like AF to superconductivity phase transition with no evidence for a magnetic quantum critical point. Instead, the data reveal that incommensurate short-range AF order coexists and competes with superconductivity, where the AF spin correlation length is comparable to the superconducting coherence length.
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 dependence of the frequency suggests the origin of the relaxation is spin-lattice type. The quadrupole splitting at low temperatures indicates the excited orbital states mix strongly to the orbital doublet ground state via spin-orbit coupling. Modified molecular field model analysis yields a saturation value for hyperfine field ~125 kOe. The anomaly in magnetization and M\"ossbauer parameters below 27 K may be ascribed to contribution of orbital angular momentum. The high value of the asymmetry parameter ({\eta} ~ 0.8) of the electric field gradient obtained in the antiferromagnetic regime indicates a strongly distorted octahedral oxygen neighbourhood for the ferrous sites.
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-pnictides with thick perovskitetype blocks also undergo an evolution from the AFM order to the SC by doping electron carriers into FeAs planes through the chemical substitution of Ti+4 ions for Mg+2 ions, analogous to the F-substitution in LaFeAsO compound. The reason why the Tc=36 K when x=0.2 being higher than the optimally electron-doped LaFeAsO with Tc=27 K relates to the fact that the local tetrahedron structure of FeAs4 is optimized for the onset of SC.
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 the phases of the two-band superconductor which, in the case of s+- pairing, are pi-shifted in the absence of proximity. In the case of a strong proximity such effect can be used to reduce soliton's energy below the energy of a soliton-free state thus making the soliton thermodynamically stable. Based on this observation we consider an experimental setup, applicable both for stable and metastable solitons, which can be used to distinguish between s+- and s++ types of pairing in the iron-based multiband superconductors.
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. SrFeO3 exhibits stable G-type helical order, while A- and G-type helical orders in BaFeO3 are almost degenerate at short propagating vector with tiny energetic barrier with respect to ferromagnetic spin order, explaining ferromagnetism under small field. The results are consistent with model calculation where negative charge-transfer energy is explicitly taken into account.
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 valence electron, and that Fe and Co are in the same 2+ oxidation state. Yet, significant Co character is detected for the Bloch wavefunctions at the chemical potential, revealing that the Co 3d electrons are part of the Fermi sea determining the Fermi surface. This establishes the complex role of Co substitution in CaFe2As2, and the inadequacy of a rigid-band shift description.
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, and to compare its behavior with the outer hole-like band beta. Measurements along high symmetry directions show that the behavior of beta is consistent with an isotropic gap opening, while slight anisotropies are detected for the inner band alpha. The implications of these results for the s+/- symmetry of the superconducting order parameter are discussed, in relation to the nature of the different iron orbitals contributing to the electronic structure of this multiband system.
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 an abrupt drop with overdoping (for x > 0.6) while the inner and middle FS gaps roughly scale with Tc. This is accompanied by the simultaneous disappearance of the electron FS sheet with similar orbital character at the BZ corner. These results browse the different contributions of X2-Y2 and XZ/YZ orbitals to superconductivity in BaK and can be hardly completely reproduced by the available theories on iron-based superconductors.
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 phase above the QCP, scattering and pairing decrease in parallel as the system moves away from the QCP. Here we argue that a similar scenario, based on a stripe-order QCP, is a central organizing principle of hole-doped cuprate superconductors. Key properties of Eu-LSCO, Nd-LSCO and YBCO are naturally unified, including stripe order itself, its QCP, Fermi-surface reconstruction, the linear-T resistivity, and the nematic character of the pseudogap phase.
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 aggregation of nanoparticles to form directly on cavity surfaces. A simple readout of quantum dot photoluminescence coupled to the optical fiber shows that nanoparticle presence and concentration can be detected through modified cavity properties. Our sensor can detect both gold and iron oxide nanoparticles and can be utilized for molecular sensing applications in biomedicine.
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 and silicon while upper limits for iron and oxygen are derived from the available optical spectroscopy. HE1349-2305 is the first gas disk-hosting white dwarf star identified amongst previously known polluted white dwarfs. Further characterization of the parent body polluting this star will require ultraviolet spectroscopy.
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 suppress the antiferromagnetic ordering temperature from 200 K in the undoped compound down to 100 K approaching the solubility limit of La. Despite up to ~30% La substitution, the persistence of magnetic order and lack of any signature of superconductivity above 10 K present a contrasting phase diagram to that of Ca1-xLaxFe2As2, indicating that the suppression of magnetic order is necessary to induce the high-temperature superconducting phase observed in Ca1-xLaxFe2As2.
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$_{2}$ is much weaker comparing to the parent compounds of iron pnictide. Applying magnetic field along \emph{c} axis induces two successive spin-flop transitions in its magnetic state. The magnetization saturation behaviors with \emph{\textbf{H}$\parallel$c} and \emph{\textbf{H}$\parallel$ab} at 10K indicate that the antiferromagnetic coupling along \emph{c} direction is very weak. The interlayer antiferromagntic coupling constant \emph{J$_{c}$} is estimated to be about 2 meV.
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 the object. Given the spectral-variability properties of high-z quasars, we associate this lag with the rest-UV iron emission blends. Our findings are consistent with a simple extrapolation of the BLR size-luminosity relation in local active galactic nuclei to the more luminous, high-z quasar population. Long-term spectroscopic monitoring of MACHO 13.6805.324 may be able to directly measure the line-to-continuum time-delay and test our findings.
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 gamma-ray bursts. The interactions of the pressurized conducting plasma and the magnetic fields are described by a set of magnetohydrodynamic (MHD) equations with poloidal and toroidal plasma flows not aligned with magnetic fields. A sequence of MHD equilibria in response to the increasing plasma pressure in the cavity, by continuous filling from the rotating magnetosphere, is solved to account for asymmetric supernovae, highly collimated gamma-ray burst jets, and also active galactic nucleus plasma torus. It is shown that the magnetosphere of the central compact star is likely the central engine of supernova and gamma-ray burst by feeding them plasma, magnetic energy, and rotational energy.
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 experiments. First-principles simulations within the dynamic mean field approach demonstrate that the transition is induced by many-electron effects. It is absent in one-electron calculations and represents a clear signature of correlation effects in hcp Fe.
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 and imaginary parts of a generalized impurity-response function, and particularly share the same angular factors and singular boundaries, as seen from our approximate analytic results for d-wave superconductors. Remarkably, our numerical GJDOS analysis agrees well with the QPI patten of d-wave cuprates and s\pm-wave iron-based superconductors. Moreover, we illustrate that the present GJDOS scenario can uncover the sign features of the superconducting gap and thus can be used to explore the possible pairing symmetry of the KxFe2-ySe2 superconductors.
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 drop of the Knight shift is seen below the structural transition, whereas $1/T_1$ is strongly enhanced at low-temperatures. These evidences indicate quenching of Fe local magnetism and short-range ordering of Pr$^{3+}$ moment in the collapsed tetragonal phase. The quenched Fe moment through structure collapse suggests a strong interplay of structure and magnetism, which is important for understanding the nature of the collapsed tetragonal phase.
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 steps, using as reference materials iron, cobalt and nickel we show that pseudo-potential based calculations give accurate predictions. Then we derive a formal expression for the full dielectric tensor in terms of the density-density correlation function. The derived equation is exact in systems with an electronic gap, with the possible exception of Chern insulators, and whenever the time reversal symmetry holds and can be used as a starting point for the inclusion of local fields and excitonic effects within time-dependent DFT for such systems. In case of metals instead we show that, starting from the density-density correlation function, the term which describes the anomalous Hall effect is neglected giving a wrong conductivity.
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 mass shift coefficients of the transition have been derived from the data, as well as the experimental value for the hyperfine structure magnetic dipole coupling constant A of the excited state of the transition in 57Fe : A(3d6 4s4p z 5F4o) = 68.21(69) MHz. The measurements were carried out by means of high-resolution Doppler-free laser saturated absorption spectroscopy in a Fe-Ar hollow cathode discharge cell using both natural and enriched iron samples. The measured isotope shifts and hyperfine constants are reported with uncertainties at the percent level.
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 nearby stars. Comparison between the gas composition and solar abundances suggests that grains are dominated by olivines and possibly some form of iron oxide. Measurements of the interstellar Ne/O ratio by the Interstellar Boundary Explorer spacecraft indicate that a high fraction of interstellar oxygen in the ISM must be depleted onto dust grains. Local interstellar abundances are consistent with grain destruction in ~150 km/s interstellar shocks, provided that the carbonaceous component is hydrogenated amorphous carbon and carbon abundances are correct. Variations in relative abundances of refractories in gas suggest variations in the history of grain destruction in nearby ISM. The large observed grains, > 1 micron, may indicate a nearby reservoir of denser ISM. Theoretical three-dimensional models of the interaction between interstellar dust grains and the solar wind predict that plumes of about 0.18 micron dust grains form around the heliosphere.
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 Fe moments pointing along the c-direction, and Nd moments along the a-direction. This signals a significant interplay between rare-earth and transition metal magnetism, which results in a spin-reorientation of the Fe sublattice upon ordering of the Nd moments. All models that fit the data well, including collinear models with more than one magnetic variable per sublattice, were found to have an Fe moment of 0.5 BM and a Nd moment of 0.9 BM, demonstrating that the low-temperature Fe moment is not substantially enhanced compared to the spin-density wave (SDW) state.
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. Focusing on two-band superconductors, we consider two different model systems. The first one, relevant for iron-based superconductors, describes two-band superconductors with a repulsive interband interaction $V_{12}$ which is much larger than the intraband pairing terms. The second model, relevant for MgB$_2$, deals with the opposite limit where the intraband interactions are dominant and the interband pair scattering $V_{12}$ is weak but attractive. For ultrashort pump pulses, both of these models exhibit a nonadiabatic behavior which is characterized by oscillations of the superconducting order parameters. We find that for nonvanishing $V_{12}$, the superconducting gap on each band exhibits two oscillatory frequencies which are determined by the long-time asymptotic values of the gaps. The relative strength of these two frequency components depends sensitively on the magnitude of the interband interaction $V_{12}$.
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-temperature superconducting Fe-pnictides. In particular the bandwidth renormalization present in the Fe-pnictides (~2 - 3) is negligible in LaRu2P2 even though the mass enhancement is similar in both systems. Our results suggest that the superconductivity in LaRu2P2 has a different origin with respect to the iron pnictides. Finally we demonstrate that the increased probing depth of SX-ARPES, compared to the widely used ultraviolet ARPES, is essential in determining the bulk electronic structure in the experiment.
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 shifts towards lower doping concentrations, which differs significantly from observations in single crystals. We show that especially in the underdoped regime superconducting transition temperatures higher than 27 K are possible.
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 materials appear not to be influenced by the presence of electronically-innocent Li(NH2) salt moieties. Indeed, high onset temperatures of 44 K and shielding fractions of almost 80% were only obtained in samples containing exclusively Lix(NH3)y moieties acting simultaneously as electron donors and spacer units. The c-axis of the new intercalated phases is strongly enhanced when compared to the alkali-metal intercalated iron selenides A1-xFe2-ySe2 with A = K, Rb, Cs, Tl with T c = 32 K.
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 the mode frequency and a large decrease by ~ 10 cm-1 in the linewidth is observed. These precursor effects at T0 (~ 2Tc) are attributed to significant superconducting fluctuations, possibly enhanced due to reduced dimensionality arising from weaked coupling between the well separated (~ 15 {\AA}) Fe-As layers in the unit cell. A large blue-shift of the mode frequency between 300 K to 60 K (~7%) indicates strong spin-phonon coupling in this superconductor.
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, applied to heme, the kernel of the hemoglobin metalloprotein central to human respiration. We find that variations in Hund's exchange coupling induce a reduction of the iron 3d density, with a concomitant increase of valence fluctuations. We discuss the comparison between our computed optical absorption spectra and experimental data, our picture accounting for the observation of optical transitions in the infrared regime, and how the Hund's coupling reduces, by a factor of five, the strong imbalance in the binding energies of heme with CO and O_2 ligands.
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 high-spin fraction and the transition temperature have been extracted. All substituents, except for bromine, lead to a decrease of the transition temperature. Density functional calculations have been carried out to compare the experimentally observed shifts of the transition temperature with those derived from theory.
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 suppression of $T_{\rm c}$ by impurities is quite different from that observed in Ba$_{0.5}$K$_{0.5}$Fe$_2$As$_2$ with multiple nodeless superconducting gaps. Thermal conductivity measurements in zero field show that the residual linear term $\kappa_0/T$ only change slightly with $3.4\%$ Co doping, despite the sharp increase of scattering rate. The implications of these anomalous impurity effects are discussed.
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 understand the diffusion of hydrogen in these materials. In our study we employ kinetic Monte Carlo (kMC) simulations to investigate hydrogen diffusion in bcc iron within different microstructures. All input data to the kMC model, such as available sites, solution energies, and diffusion barriers are obtained from first-principles calculations. We find that hydrogen mainly diffuses within the interface region with an overall diffusivity that is lower than in pure bcc-Fe bulk. The concentration dependence of the diffusion coefficient is strongly non-linear and the diffusion coefficient may even decrease with increasing hydrogen concentration. To describe the macroscopic diffusion coefficient we derive an analytic expression as a function of hydrogen concentration and temperature which is in excellent agreement with our numerical results for idealised microstructures.
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 naturally grown oxide layer exchange coupled to an underlying ferromagnet. For the exemplarily studied FePt/iron oxide composite in an electrolyte, a large and reversible change of magnetization and anisotropy is obtained. The principle can be transferred to various metal/oxide combinations. It represents a novel approach towards multifunctionality.
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 line associated with the Mn nearest neighbours (n.n.) of 75As displays a Curie-Weiss shift which demonstrates that Mn carries a local magnetic moment. This is confirmed by the main line broadening typical of a RKKY-like Mn-induced staggered spin polarization. The Mn moment is due to the localization of the additional Mn hole. These findings explain why Mn does not induce superconductivity in the pnictides contrary to other dopants such as Co, Ni, Ru or K.
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 pressure and applied pressure (up to 2.6 GPa). Spin transition from the high-spin (HS) to the low-spin (LS) state was observed by lowering temperature and also by applying pressure at room temperature and has been assigned to the hardening of iron-bond stretching modes due to the smaller volume in the LS isomer.
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$_{1-x}$Co$_x$As supplies extra charge carriers and shifts the Fermi level accordingly. In the $x=0.109$ compound, the hole-like bands around the zone center $\Gamma$ move to deeper binding energies and an electron pocket appears instead. The overall band renormalization remains basically the same throughout the doping range we studied, suggesting that the local magnetic/electronic correlations are not affected by carrier doping. We speculate that a balance between itinerant properties of mobile carriers and local interactions may play an important role for the superconductivity.
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 Fe 3d bands near the Fermi energy, which leads to the localization of magnetism and the Mott insulating behavior. The large distances between the Fe atoms perhaps are responsible for the characters. Linear response calculation further indicates a strong in-plane AF exchange $J$, this can account for the enhanced magnetic susceptibility (which has a maximum at about 450 K) above the Neel temperature.
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 substituted samples with the latter being $\sim$0.03 \AA\ longer. Local disorder induced by the Ru substitution is mainly confined to the FeAs layer while the SmO spacer layer sustains a relative order, consistent with the x-ray-absorption near-edge structure spectra. The results suggest that, in addition to the order/disorder in the active active iron-arsenide layer, its coupling to the rare-earth\textminus oxygen spacer layer needs to be considered for describing the electronic properties of these layered superconductors.
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 not shift to lower temperatures with further increase of the P concentration. Therefore, a quantum-critical-point scenario with T^N_Fe -> 0K which is widely discussed for the iron based superconductors can be excluded for this alloy series. Surprisingly, thermal expansion and X-ray powder diffraction indicate the absence of an orthorhombic distortion despite clear evidence for short range AFM Fe-ordering from muon-spin-rotation measurements. Furthermore, we discovered the formation of a sharp electron spin resonance signal unambiguously connected with the emergence of FM ordering.
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. Here we use archive observations made with the Space Telescope Imaging Spectrograph on board the Hubble Space Telescope and observations from several ground-based facilities to study the chemical enrichment histories of seven stars with metallicities -2.6 < [Fe/H] < -0.4. We perform a standard abundance analysis of germanium, arsenic, selenium, and several other elements produced by neutron-capture reactions. When combined with previous derivations of germanium abundances in metal-poor stars, our sample reveals an increase in the [Ge/Fe] ratios at higher metallicities. This could mark the onset of the weak s-process contribution to germanium. In contrast, the [As/Fe] and [Se/Fe] ratios remain roughly constant. These data do not directly indicate the origin of germanium, arsenic, and selenium at low metallicity, but they suggest that the weak and main components of the s-process are not likely sources.
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 recombination data, and updated collisional excitation data for many ions, including the iron L-shell ions from Fe$^{+16}$ to Fe$^{+23}$ and all of the hydrogen- and helium-like sequences. We also describe some of the effects that these changes have on calculated emission and diagnostic line ratios, such as changes in the temperature implied by the He-like G-ratios of up to a factor of 2.
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 characterized by Fe moments lying in the ab-plane below 100K. This is in sharp contrast to crystals containing regions of order and disorder, where a competition between c-axis and ab-plane orientations of the moments is observed. The properties of partially-disordered TlFe1.6Se2 are therefore not associated with solely the ordered or disordered regions. This contrasts the viewpoint that phase separation results in independent physical properties in intercalated iron selenides, suggesting a coupling between ordered and disordered regions may play an important role in the superconducting analogues.
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 $H_{c2}$ in the passive band is almost isotropic. These results strongly indicate that the two bands have two different anisotropies, similar to the typical two-gap superconductor MgB$_{2}$, and their interplay may be essential to the two-gap superconductivity in Lu$_{2}$Fe$_{3}$Si$_{5}$.
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 of a commensurate stripe-type antiferromagnetic (AFM) order in 0.5$\le x \le$ 0.95, as an isovalent substitution of P for As decreases a pnictogen height $h_{Pn}$ measured from the Fe plane. It is demonstrated that the AFM order takes place under a condition of 1.32\AA$\le h_{Pn} \le$1.42\AA, which is also the case for other Fe-pnictides with the Fe$^{2+}$ state in (Fe$Pn$)$^{-}$ layers. This novel phase evolution with the variation in $h_{Pn}$ points to the importance of electron correlation for the emergence of SC as well as AFM order.
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). Using three density-sensitive Fe XXI ratios, peak electron densities of 10^(11.2)-10^(12.1) cm^(-3) were found during four X-class flares. While previous measurements of densities at such high temperatures were made at only one point during a flaring event, EVE now allows the temporal evolution of these high-temperature densities to be determined at 10 s cadence. A comparison with GOES data revealed that the peak of the density time profiles for each line ratio correlated well with that of the emission measure time profile for each of the events studied.
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 Brillouin zone. The actual spin order depends on the interplay between these two components. Previous works argued that spin order is a single-$Q$ state (either $Q_1$ or $Q_2$). Such an order breaks rotational $C_4$ symmetry and order spins into a double diagonal stripe. We show that quantum fluctuations actually select another order -- a double $Q$ plaquette state with equal weight of $Q_1$ and $Q_2$ components, which preserves $C_4$ symmetry but breaks $Z_4$ translational symmetry. We argue that the plaquette state is consistent with recent neutron scattering experiments on Fe$_{1+y}$Te.
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 was made of a thick layer of wet oxide sandwiched between tow thin layers of dry oxide. The process results in semiconducting single-walled carbon nanotubes (SWNTs) with diameter of less than 0.7nm and more than 1ev band gap energy, which are amongst the smallest diameters of SWNTs ever reported.
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 accord with that of the spin-density-wave gap of the parent compound. By monitoring the superconducting gap of both P- and Co-doped compounds, we find that the infrared pseudogap is unrelated to superconductivity. The appearance of the pseudogap is found to correlate with the evolution of the antiferromagnetic fluctuations associated with the spin-density-wave instability. The strong-coupling analysis of infrared data further reveals the interdependence between the magnetism and the pseudogap in the iron pnictides.
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. Furthermore, we observe significant changes in the superconducting transition temperature with applied strain, which mirror changes as a function of the composition $x$. These experiments are a direct illustration of the intimate coupling between different degrees of freedom in iron-based superconductors, revealing the importance of magneto-elastic coupling to the magnetic and superconducting transition temperatures.
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 becomes the dominant fluctuation in the vicinity of the orbital-ordering quantum critical point. Since the very existence of this $z=3$ overdamped collective mode induces non-Fermi liquid behavior near the quantum critical point, we conclude that a two-orbital model generally has a sizable area in the phase diagram showing non-Fermi liquid behavior. Furthermore, we show that the bosonic theory resembles the continuous model near the d-wave Pomeranchuk instability, suggesting that orbital order in a two-orbital model is identical to nematic order in a continuous model. Our results can be applied to systems with degenerate $d_{xz}$ and $d_{yz}$ orbitals such as iron-based superconductors and bilayer strontium ruthenates Sr$_3$Ru$_2$O$_7$.
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, exhibiting a bound state near the edge of the smaller gap in this multi-gap superconductor. Three other common defects, including one also on an Fe site, are observed to break local lattice symmetry and are pair-breaking indicated by clear in-gap bound states, in addition to states near the smaller gap edge. STS maps reveal complex, extended real-space bound state patterns, including one with a chiral distribution of the local density of states (LDOS). The multiple bound state resonances observed within the gaps and at the inner gap edge are consistent with theoretical predictions for s$^{\pm}$ gap symmetry proposed for LiFeAs and other iron pnictides.
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 perform rest-frame spectral stacking based on spectroscopic and photometric redshifts and find a ~4{\sigma} detection of Fe K{\alpha} emission with an equivalent width of EW>1 keV. The centroid of the Fe K{\alpha} emission lies near 6.7 keV, indicating a possible contribution from highly ionized Fe XXV or Fe XXVI; there is also a slight indication that the line emission is more spatially extended than the X-ray continuum. This is the first X-ray analysis of a complete, flux-limited sample of SMGs with statistically robust radio counterparts.
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 consistent with thermodynamic results, the momentum dependence shows a \cos(4\varphi) modulation of the SC-gap anisotropy. The observed SC-gap anisotropy strongly indicates that the pairing interaction is not a conventional phonon-mediated isotropic one. Instead, the results suggest the importance of second-nearest-neighbor electronic interactions between the iron sites in the framework of s_\pm-wave superconductivity.
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$_2$As$_2$ layers respectively. Compared with BaFe$_2$As$_2$, sizeable changes in the related Fermi surface sheets indicate significant electron transfer (about 0.12$e$) from Ti to Fe, which suppresses the stripe-like antiferromagnetism at the Fe sites and simultaneously induces superconductivity. Our calculations also suggest that an additional N\'{e}el-type antiferromagnetic instability at the Ti sites is relatively robust against the electron transfer, which accounts for the anomaly at 125 K in the superconducting Ba$_2$Ti$_2$Fe$_2$As$_4$O.
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 investigate the finite-temperature magnetic phase transitions in a square lattice with a $\sqrt{5} \times \sqrt{5}$ vacancy superstructure by using large-scale Monte Carlo simulations. By the parallel tempering technique, the block spin checkerboard and stripe antiferromagnetic states are detected to be the groundstates for three representative sets of model parameters. The short-time dynamic approach is applied to accurately determine the critical temperature as well as the static and dynamic exponents. Our results indicate that the dramatic enhancement of the critical temperature as observed in experiments should be mainly due to a combination effect of the vacancy order and the block lattice contraction.
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 criticality can allow the occurrence of very-strong-coupling superconductivity by preventing its suppression due to competing symmetry-breaking instabilities. Treating the electrons through a large-U ansatz yields their separation into boson quasiparticles which are directly involved in the formation of these instabilities, represented as their Bose condensates, and charge-carrying fermion quasiparticles which are affected by them indirectly. Within the critical regime, condensates corresponding to the different broken-symmetry states are combined; consequently their negative effect on the pairing of the fermions is strongly diminished, enabling high-T_c superconductivity to occur. The observed phase diagram of the hole-doped cuprates then derives from a hidden T=0 quantum phase transition between a Fermi-liquid and a non-Fermi-liquid broken-symmetry striped state. The pseudogap range within this diagram is found to include two distinct regimes, with partial pairing occurring in one of them.
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 into a spin nematic phase due to the emergent biquadratic exchange couplings. The long-range ordered part m of Seff varies widely, 0<=m<=Seff, but magnon spectra are universal and scale with Seff, resolving the puzzle of large but fluctuating Fe-moments. Unusual temperature dependences of a local moment and spin susceptibility are also explained.
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 argon ion beam milling. The anisotropy ratio was found to lie between \rho_parallel/\rho_perpend = 20 - 200. The measurement of \rho_perpend(T) was performed with current flow along the tetragonal [1 0 0] direction and along the [1 1 0] direction and revealed a clear in-plane anisotropy already at T \leq 175 K. This is significantly above the orthorhombic distortion at T_0 = 147 K and indicates the formation of an electron nematic phase. Magnetic susceptibility and electrical resistivity give evidence for a change of the magnetic structure of the iron atoms from antiferromagnetic to ferromagnetic arrangement along the c-axis at T^\ast = 11 K.
1208.1480v3