D. J. Singh
The electronic structure of the Fe-based superconductors is discussed, mainly from the point of view of first principles calculations in relation to experimental data. Comparisons and contrasts with cuprates are made. The problem of reconciling experiments indicating an $s$ symmetry gap with experiments indicating line nodes is discussed and a possible resolution is given.
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Electronic band structure of boron-rich low-temperature superconductors UB12-like dodecaboride YB12 and CaB6-like hexaboride YB6 are investigated using the first-principle FLMTO calculations and compared with one for layered YB2 and the new "medium-Tc" superconductor MgB2 diborides.
We apply the generalized two-band model of superconductivity to calculate the electronic contribution to the specific heat, superconducting gaps and electron-boson coupling constants of the multi-band layered superconductors MgB2 and Ba(Fe0.925Co0.075)2As2. For both compounds, the obtained temperature-behavior of the specific heat well describes the experimental data. We compare our findings with the "two-band - model" that is frequently used to calculate the electronic specific heat, and that is applicable only for superconductors with strong interband scattering ("dirty" enough superconducto…
The relation between the incommensurability observed in neutron scattering experiments in bilayer cuprate superconductors and the electronic structure is investigated. It is found that the observed incommesurability pattern, as well as its dependence on energy, can be well reproduced by electronic dispersions motivated by angle resolved photoemission data. The commensurate resonance and its contribution to the superconducting condensation energy are discussed in the context of these calculations.
Recently, the different electronic charges, which are related to the different coupling constants with magnetic field, in the two-component superconductor have been studied in frame of Ginzburg-Landau theory. In order to study the electronic charges in detail we suggest the wave function in the two-component superconductor to be coherent state. We find the different electronic charges exist not only in the coherent state but the incoherent state. But the ratio of the different charges in the coherent state is different from ratio in the incoherence. The expressions of the coupling constants ar…
The formula frequently used to describe the c-axis infrared response of the coupled electron-phonon system of bilayer cuprate superconductors and providing important insights into the physics of these materials has been originally obtained at the level of the phenomenological multilayer model. Here we derive it using diagrammatic perturbation theory.
Electronic structure of a novel superconducting noncentrosymmetric compound Mg10Ir19B16 was calculated using the Korringa-Kohn-Rostoker method. Electronic part of the electron-phonon coupling constant, McMillan-Hopfield parameters, were calculated using the rigid-muffin-tin approximation (RMTA). The magnitude of the electron-phonon coupling constant, analysing atomic contributions, is discussed. Our results show, that superconductivity in Mg10Ir19B16 is presumably mediated by electron-phonon interaction.
The electronic Raman scattering of Borocarbide superconductors is studied based on the weak coupling theory with $s+g$-wave gap symmetry. The low energy behaviors and the relative peak positions can be naturally understood, while the explanation of the detailed shape of the $B_{1g}$ peak seems to require a strong inelastic interaction not present in the weak coupling theory.
Based on first-principle FLAPW-GGA calculations, we have investigated structural and electronic properties of the recently synthesized tetragonal (space group P4/nmm) nickel-based pnictide oxide superconductors: 3.3K (Ni2P2)(Sr4Sc2O6) and 2.7K (Ni2As2)(Sr4Sc2O6). Optimized structural data, electronic bands, total and partial densities of states, and Fermi surface topology have been obtained and discussed in comparison with available experiments and with their Fe-based (Fe2P2)(Sr4Sc2O6) and (Fe2As2)(Sr4Sc2O6) analogs.
The latest discovery of a new iron-chalcogenide superconductor A$_x$Fe$_{2-y}$Se$_2$(A=K, Cs, Rb, Tl and etc.) has attracted much attention due to a number of its unique characteristics, such as the possible insulating state of the parent compound, the existence of Fe-vacancy and its ordering, a new form of magnetic structure and its interplay with superconductivity, and the peculiar electronic structures that are distinct from other Fe-based superconductors. In this paper, we present a brief review on the structural, magnetic and electronic properties of this new superconductor, with an empha…
The ThCr2Si2-type arsenide-selenide phase KFe2AsSe is proposed as a parent system for a new "intermediate" group of Fe-based superconducting materials bridging the known families of Fe-pnictides (such as BaFe2As2) and Fe-chalcogenides (such as KxFe2-ySe2) superconductors. The characterization of the proposed charge-balanced phase by means of FLAPW-GGA approach covers the crystal structure, As/Se atomic ordering, stability, electronic bands, Fermi surface, and density of electronic states.
Using the ab initio FLAPW-GGA method we examine the electronic band structure, densities of states, and the Fermi surface topology for a very recently synthesized ThCr2Si2-type potassium intercalated iron selenide superconductor KxFe2Se2. We found that the electronic state of the stoichiometric KFe2Se2 is far from that of the isostructural iron pnictide superconductors. Thus the main factor responsible for experimentally observed superconductivity for this material is the deficiency of potassium, i.e. the hole doping effect. On the other hand, based on the results obtained, we conclude that th…
Iron-based superconductors have grown to be a new continent of high Tc superconductors comparable to cuprates. The optimal critical temperature (Tc) of 56 K in electron-doped 1111-type iron oxypnictides attracts considerable attention of physicists and chemists. Carrier doping is not only essential to induce superconductivity but also is a critical parameter that governs the electronic, magnetic, and crystallographic properties of ground states in high-Tc superconductors. Hydride ion (H-) which is an anionic state of hydrogen acts as an efficient electron donor in the 1111-type, leading to sev…
We discuss a few situations related to non separable correlations in multiterminal hybrid structures. We show that the existence of such correlations can modify the strength of the gap of the superconductor. We discuss linear combinations of non local Cooper pairs. We discuss a possible transport experiment intended to probe non separable correlations. The models are worked out at the heuristic level of effective single site Green's functions.
First-principles calculations were performed to investigate electronic and elastic properties of the newly discovered 7.5K superconductor: layered Nb2InC. As a result, electronic bands, total and site-projected l- decomposed DOS at the Fermi level, shape of the Fermi surface for Nb2InC were obtained for the first time. Besides, independent elastic constants, bulk modulus, compressibility, shear modulus, Young's modulus, Poisson's ratio together with the elastic anisotropy parameters and indicator of brittle/ductile behavior of Nb2InC were evaluated and analyzed in comparison with the available…
Very recently, the new 6K superconductor (SC) LiFeP, the first arsenic-free analogue of the family of the so-called "111" FeAs SCs, was discovered. Here, based on first-principle FLAPW-GGA calculations, the band structure, density of states, Fermi surface topology, electron density distribution and effective atomic charges for the new SC LiFeP are investigated and discussed in comparison with isostructural and isoelectronic LiFeAs.
Theoretical model of a rough surface in a d-wave superconductor is studied for the general case of arbitrary strength of electron scattering by an impurity layer covering the surface. Boundary conditions for quasiclassical Eilenberger equations are derived at the interface between the impurity layer and the d-wave superconductor. The model is applied to the selfconsisrent calculation of the surface density of states and the critical current in d-wave Josephson junctions
We review the field of high temperature cuprate superconductors, with an emphasis on the nature of their electronic properties. After a general overview of experiment and theory, we concentrate on recent results obtained by angle resolved photoemission, inelastic neutron scattering, and optical conductivity, along with various proposed explanations for these results. We conclude by reviewing efforts which attempt to identify the energy savings involved in the formation of the superconducting ground state.
The electronic Raman response in the electron-doped cuprate superconductors is studied based on the $t$-$t'$-$J$ model. It is shown that although the domelike shape of the doping dependent peak energy in the $B_{2g}$ symmetry is a common feature for both electron-doped and hole-doped cuprate superconductors, there are pronounced deviations from a cubic response in the $B_{1g}$ channel and a linear response in the $B_{2g}$ channel for the electron-doped case in the low energy limit. It is also shown that these pronounced deviations are mainly caused by a nonmonotonic d-wave gap in the electron-…
Mechanism of unconventional superconductivity is still unknown even if more than 25 years have been passed since the discovery of high-Tc cuprate superconductors by J.G. Bednorz and K. A. Muller. Here, we explore the cuprate phase diagram by electronic Raman spectroscopy and shed light on the superconducting state in hole doped cuprates. Namely, how superconductivity and the critical temperature Tc are impacted by the pseudogap.
The rich novel materials class of iron based superconductors turned out to exhibit a very complex electronic structure, despite of the simplicity of their crystal structures. For various approaches to study the instability against magnetic order or superconductivity, a real space description of the electronic structure is required. Here, the bonding situation and the orbital structure of the electronic state are analyzed and minimum tight-binding models quantitatively correctly describing the low-energy electronic structure are provided.
A comprehensive first principles study on the electronic topological transition in a number of 122 family of Fe based superconductors is presented. Doping as well as temperature driven Lifshitz transitions are found from first principles simulations in a variety of Fe based superconductors that are consistent with experimental findings. In all the studied compounds the Lifshitz transitions are consistently found to occur at a doping concentration where superconductivity is highest and magnetism disappears. Systematically, the Lifshitz transition occurs in the electron Fermi surfaces for hole d…
We calculate electronic structures of a high-Tc iron-based superconductor Sr2VFeAsO3 by LDA+U method. We assume a checker-board antiferromagnetic order on blocking layers including vanadium and strong correlation in d-orbits of vanadium through the Hubbard U. While the standard LDA brings about metallic blocking layers and complicated Fermi surface as in the previous literatures, our calculation changes the blocking layer into insulating one and the Fermi surface becomes quite similar to those of other iron-based superconductors. Moreover, the appearance of the insulating blocking layers predi…
We present results of it ab initio LDA calculations of electronic structure of "next generation" layered ironpnictide High-Tc superconductor LiFeAs (Tc=18K). Obtained electronic structure of LiFeAs is very similar to recently studied ReOFeAs (Re=La,Ce,Pr,Nd,Sm) and AFe2As2 (A=Ba,Sr) compounds. Namely close to the Fermi level its electronic properties are also determined ma inly by Fe 3d-orbitals of FeAs4 two-dimensional layers. Band dispersions of LiFeAs are very similar to the LaOFeAs and BaFe2As2 systems as well as the shape of the Fe-3d density o f states and Fermi surface.
Superconductor digital electronics using Josephson junctions as ultrafast switches and magnetic-flux encoding of information was proposed over 30 years ago as a sub-terahertz clock frequency alternative to semiconductor electronics based on complementary metal-oxide-semiconductor (CMOS) transistors. Recently, interest in developing superconductor electronics has been renewed due to a search for energy saving solutions in applications related to high-performance computing. The current state of superconductor electronics and fabrication processes are reviewed in order to evaluate whether this el…
Using an electronic double layer transistor we have systematically studied the superconductor to insulator transition in La$_{2}$CuO$_{4+δ}$ thin films growth by ozone assisted molecular beam epitaxy. We have confirmed the high crystalline quality of the cuprate films and have demonstrated the suitability of the electronic double layer technique to continuously vary the charge density in a system that is otherwise characterized by the presence of miscibility gaps. The transport and magneto-transport results highlight the role of electron-electron interactions in the mechanism of the transition…
By means of first-principles calculations? we have probed the peculiarities of the elecrtonic band structure and Fermi surface for the recently discovered layered superconductor LaO0.5F0.5BiSi2 in comparison with the parent phase LaOBiO2. The electronic factors prpmoting the transition of LaOBiS2 upon fluorine doping to superconducting state: inter-layer charge transfer, the evolution of the Fermi surface, and the dependence of the near-Fermi densities of states on x for LaO1-xFxBiS2 are evaluated and discussed in comparison with the available experiments.
The competition of superconductivity and a d charge-density wave (CDW) is studied in the t-J model as a function of temperature at large N where N is the number of spin components. Applying the theory to electronic Raman scattering the temperature dependence of the $B_{1g}$ and the $A_{1g}$ spectra are discussed for a slightly underdoped case.
We show that an induced $s$-wave harmonic in the superconducting gap of an orthorhombic $d_{x^2-y^2}$ superconductor strongly affects the excitation spectrum near a twinning plane. In particular, it yields bound states of zero energy with areal density proportional to the relative weight of the $s$-wave component. An unusual scattering process responsible for the thermal conductivity across the twin boundary at low temperatures is also identified.
We derive a general quasiclassical approach for long-range magnetic-field quantization effects in superconductors. The method is applied to superclean d-wave superconductors in the mixed state. We study the delocalized states with energies $ε\gg Δ_{0}\sqrt{H/H_{c2}}$. We find that the energy spectrum consists of narrow energy bands whose centers are located at the Landau levels calculated in absence of the vortex potential. We show that transitions between the states belonging to the different Landau levels give rise to resonances in the a.c. quasiparticle conductivity and in the a.c. vortex f…
Chuang et al (Reports, 8th of January 2010, p. 181)1 report quasiparticle interference (QPI) imaging that shows pronounced C2 asymmetry. They interpreted this result as indication of an electronic nematic phase with an electron band dispersive only along the b-axis of this orthorhombic material. We argue that this asymmetry is consistent with the underlying long range magnetic order and that LDA electronic structure provides a better description of the QPI images than the 1D band structure conjectured by Chuang et al.
We have studied electronic and magnetic properties of the K0.8Fe1.6Se2 superconductor by x-ray absorption and emission spectroscopy. Detailed temperature dependent measurements alongwith a direct comparison with the binary FeSe system have revealed coexisting electronic phases: a majority phase with high spin 3+Fe state and a minority phase with intermediate spin 2+Fe state. The effect of high temperature annealing suggests that the compressed phase with lower spin 2+Fe state is directly related with the high Tc superconductivity in the title system. The results clearly underline glassy nature…
The electronic structure and lattice vibrational frequencies of the newly discovered superconductors, LiFeAs and NaFeAs, are calculated within density functional theory. We show that in the vicinity of the Fermi energy, the density of states is dominated by contributions from Fe 3d states. We also calculate the electron-phonon coupling strength and show that it is too weak to account for the observed values of the superconducting transition temperatures. This seems to indicate that the iron-based superconductors are not of the conventional type.
In this article we review our angle- and time-resolved photoemission studies (ARPES and trARPES) on various ferropnictides.
Measurements of longitudinal and transverse transport coefficients were performed in the normal state of a high-quality single crystal of optimally-doped superconductor YBa2Cu3O6.95. We found the Hall-Lorenz number (Lxy) depends only weakly on temperature, thus no appreciable violation of the Wiedemann-Franz law has been observed. However, Lxy is about two times larger than the Sommerfeld's value of the Lorenz number. Our results can be interpreted consistently if we assume that the electronic system of YBa2Cu3O6.95 behaves like a Fermi-liquid with a pseudo-gap that opens at the Fermi level.
The electronic and magnetic properties of the mother material LaOFeAs of new superconductors have been carefully studied using first-principles electronic structure calculations based on the generalized gradient approximation in the density functional theory. The present calculation predicts that the ground state of LaOFeAs is antiferromagnetic with a stripe type magnetic moment alignment leading to orthorhombic symmetry of the crystal. In this particular magnetic state, the density of states at the Fermi level is very small. On the other hand, LaOFeP has turned out to be paramagnetic and a go…
Electronic structure of a newly discovered antiperovskite superconductor MgCNi$_3$ is investigated by using the LMTO band method. The main contribution to the density of states (DOS) at the Fermi energy $E_{\rm F}$ comes from Ni 3$d$ states which are hybridized with C 2$p$ states. The DOS at $E_{\rm F}$ is varied substantially by the hole or electron doping due to the very high and narrow DOS peak located just below $E_{\rm F}$. We have also explored electronic structures of C-site and Mg-site doped MgCNi$_3$ systems, and described the superconductivity in terms of the conventional phonon mech…
We formulate a theory for the polarization-dependence of the electronic (pair-breaking) Raman response for the recently discovered non-centrosymmetric superconductors in the clean limit at zero temperature. Possible applications include the systems CePt$_3$Si and Li$_2$Pd$_x$Pt$_{3-x}$B which reflect the two important classes of the involved spin-orbit coupling. We provide analytical expressions for the Raman vertices for these two classes and calculate the polarization dependence of the electronic spectra. We predict a two-peak structure and different power laws with respect to the unknown re…
We investigate the multiquantum vortex states in type-II superconductor both in "clean" and "dirty" regimes defined by impurity scattering rate. Within quasiclassical approach we calculate self-consistently the order parameter distributions and electronic local density of states (LDOS) profiles. In the clean case we find the low temperature vortex core anomaly predicted analytically in G.E. Volovik, JETP Lett. {\bf 58}, 455 (1993) and obtain the interference patterns in LDOS distributions analogous to found previously in the framework of Bogolubov-de Gennes theory. In dirty regime the multiqua…
We have calculated the thermopower of the Bi2Sr2CuO6 and Bi2Sr2CaCu2O8 superconductors using an ARPES-derived dispersion, with a model pseudogap, and a marginal-Fermi liquid scattering rate that has a minimum with respect to energy at the van Hove singularity (vHs). Good fits with data are achieved across the entire phase diagram, thus confirming the dispersions, the locations of the vHs and the dominance of the diffusion thermopower over the phonon drag contribution.
Increasing of electronic thermal conductivity of superconductor in the model with nontrivial density of states was considered. The electronic thermal conductivity K(T) of SC in the presence of external magnetic field was investigated. It was shown that if symmetrical part of quasiparticle scattering rate less than cyclotron energy observed mechanism of increasing K(T) can be separated from connected with asymmetric electronic scattering effects another one.
We report electronic structure calculations for BaTi$_2$Sb$_2$O and discuss the results in relation to the observed superconductivity of this material when hole doped with Na. The Fermi surface shows several sheets. These include a nested nearly 2D cylinder. There are also two sheets, which are three dimensional, in spite of the layered crystal structure. A magnetic instability associated with Fermi surface nesting is found. A sign-changing s-wave state, different from the one in the Fe-based superconductors, is predicted within a scenario of spin-fluctuation mediated superconductivity.
We re-examine the tunneling data on A15 superconductors by performing a generalized McMillan-Rowell tunneling inversion that incorporates a nonconstant electronic density of states obtained from band-structure calculations. For Nb3Sn, we find that the fit to the experimental data can be slightly improved by taking into account the sharp structure in the density of states, but it is likely that such an analysis alone is not enough to completely explain the superconducting tunneling characteristics of this material. Nevertheless, the extracted Eliashberg function displays a number of features ex…
We calculate the wave-vector dependent electronic spin susceptibility $χ_{αβ}(\mathbf q, \mathbf H_0)$ of a d-wave superconductor in uniform magnetic field $\mathbf{H}_0$ with Pauli pair-breaking. We find that the transverse component of the susceptibility tensor can be greater than its normal state value; the longitudinal component also slightly increases but in a very limited range of $q$s. We identify several wave vectors $\{\mathbf q_\perp,\mathbf q_\parallel\}$, that correspond to the maxima of either $χ_\perp$ or $χ_\parallel$. We compare our results with available data on the high-field…
To extend the applicability of density functional theory for superconductors (SCDFT) to systems with significant particle-hole asymmetry, we construct a new exchange-correlation kernel entering the gap equation. We show that the kernel is numerically stable and does not diverge even in the low temperature limit. Solving the gap equation for model systems with the present kernel analytically and numerically, we find that the asymmetric component of electronic density of states, which has not been considered with the previous kernel, systematically decreases transition temperature (Tc). We prese…
This review discusses and compares electronic spectra of new iron-based high-temperature superconductors (HTSC), as well as a number of chemically similar compounds. Particular attention is payed to iron chalcogenide K_{1-x}Fe_{2-y}Se_2, which is isostructural to BaFe_2As_2 (122) pnictide. It is shown, that Fermi surfaces of K_{1-x}Fe_{2-y}Se_2 are essentially different from those for pnictides. Using LDA+DMFT and LDA'+DMFT calculations we show, that electronic correlations in K_{1-x}Fe_{2-y}Se_2 influence the electronic structure much more significantly, than in the most studied 122 system. W…
We have computed complete electronic structure of new Pt-doped superconductor CaFe1-xPtxAs2. Our findings for the parent compound of this superconductor agree well with experimental predictions.
We have performed the first-principles electronic structure calculation for the novel superconductor Ca4Al2O6Fe2As2 which has the smallest a lattice parameter and the largest As height from the Fe plane among the Fe-As superconductors. We find that one of the hole-like Fermi surfaces is missing around the Gamma point compared to the case of LaFeAsO. Analysis using the maximally-localized-Wannier-function technique indicates that the xy orbital becomes more localized as the As-Fe-As angle decreases. This induces rearrangement of bands, which results in the change of the Fermi-surface topology o…
Electronic structures of three superconducting rare-earth iron silicides (Lu;Y;Sc)2Fe3Si5 and non-superconducting Lu2Ru3Si5, adopting a tetragonal crystal structure (P4/mnc), have been calculated employing the full-potential local-orbital method within the density functional theory. The investigations were focused particularly on the band structures and Fermi surfaces, existing in four bands and containing rather three-dimensional electronlike and holelike sheets. They support an idea of unconventional multi-band superconductivity in these ternaries, proposed earlier by other authors for Lu2Fe…
Based on a two-orbital model and taking into account the presence of the impurity, we studied theoretically the electronic structure in the vortex core of the iron-Pnictide superconducting materials. The vortex is pinned when the impurity is close to the vortex core. The bound states shows up for the unpinned vortex and are wiped out by a impurity. Our results are in good agreement with recent experiments and present a consistent explanation for the different electronic structure of vortex core revealed by experiments on different materials.
First principles FLAPW-GGA method was used for the comparative study of the structural and electronic properties of three related tetragonal ThCr2Si2-type phases KFe2Ch2, where Ch are S, Se, and Te. The main trends in electronic bands, densities of states and Fermi surfaces for AFe2Ch2 are analyzed in relation to their structural parameters. We found that at the anion replacements (S<->Se<->Te) any critical changes in electronic structure of KFe2Ch2 phases are absent. On the other hand, our analysis of structural and electronic parameters for hypothetical KFe2Te2 allows to assume that this sys…
The superconductor UCoGe is analyzed with electronic structure calculations using Linearized Augmented Plane Wave method based on Density Functional Theory. Ferromagnetic and antiferromagnetic calculations with and without correlations (via LDA+U) were done. In this compound the Fermi level is situated in a region where the main contribution to DOS comes from the U-5f orbital. The magnetic moment is mainly due to the Co-3d orbital with a small contribution from the U-5f orbital. The possibility of fully non-collinear magnetism in this compound seems to be ruled out. These results are compared …
Angle resolved photoemission spectroscopy (ARPES) reveals the features of the electronic structure of quasi-two-dimensional crystals, which are crucial for the formation of spin and charge ordering and determine the mechanisms of electron-electron interaction, including the superconducting pairing. The newly discovered iron based superconductors (FeSC) promise interesting physics that stems, on one hand, from a coexistence of superconductivity and magnetism and, on the other hand, from complex multi-band electronic structure. In this review I want to give a simple introduction to the FeSC phys…
This paper presents the comparative study of LDA calculated electronic structure of new isostructural to iron based systems superconductors (Sr,Ca)Pd2As2 with Tc about 1K and similar but structurally different system BaPd2As2. Despite chemical formula looks similar to iron superconductors and even main structural motif is the same - layers of Fe square lattices, electronic structure of (Sr,Ca)Pd2As2 and BaPd2As2 differs from Fe(As,Se)-HTSC completely. All these systems have essentially three dimensional Fermi surfaces in contrast to Fe(As,Se) materials. The Fermi level is crossed by low intens…
The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a number of features of the electronic structure, which can cause the manifestation of peculiar structural, magnetic and superconducting properties of these systems. It is demonstrated that the Fermi energy $E_{\rm F}$ is located close to the pronounced peaks of the electronic density of states (DOS). The main contribution to DOS at the Fermi level arises from…
We analytically study electronic bound states around a single vortex core in a noncentrosymmetric superconductor such as ${\rm CePt_3Si}$ without mirror symmetry about the $ab$ plane. Considering a mixed spin-singlet-triplet Cooper pairing model, we obtain a formula about the local density of states (LDOS) around a vortex core in any directions of magnetic fields. The LDOS under a magnetic field perpendicular to the c axis are quite different from those of typical s-wave or d-wave superconductors. From the ellipticity of the spatial pattern of the LDOS around a vortex core, one can estimate ex…
Borocarbide superconductors, which are thought to be conventional BCS-type superconductors, are not so conventional in several electronic Raman properties. Anisotropic gap-like features and finite scattering strength below the gap were observed for the $R$Ni$_2$B$_2$C ($R$ = Lu, Y) systems in our previous study. The effects of Co-doping on the 2$Δ$ gap-like features and the finite scattering strength below and above the gap are studied in $R$ = Lu (B = B$^{11}$) system. In superconducting states, Co-doping strongly suppresses the 2$Δ$ peak in both B$_{2g}$ and B$_{1g}$ symmetries. Raman cross-…
Electronic structures of superconducting Re24Nb5 and Re24Ti5 have been calculated employing the full-potential local-orbital method within the density functional theory. The investigations were focused on the influence of the antisymmetric spin-orbit coupling on band structures and Fermi surfaces of these non-centrosymmetric systems. The predicted here density of states at the Fermi level for Re24Ti5 is abnormally low with respect to that deduced from previous heat capacity measurements. This discrepancy suggests an intermediate coupled superconducting state in Re24Ti5. The differences between…
Motivated by recent development in time-resolved angle-resolved photoemission spectroscopy (trARPES) for d-wave superconductors, we analyze the non-equilibrium relaxation dynamics of the laser pulse excited sample within the scenario of two-temperature model. It is shown that the main features reported in the trARPES technique may be understood within this phenomenological picture. The momentum dependence of the excited quasiparticle density and the relaxation rate is associated with the dynamics of the nodal d-wave superconducting gap, and the fluence dependence of the relaxation rate is rela…
Based on the quasiclassical theory, we investigate the vortex state in a two-band superconductor with a small gap on a three dimensional Fermi surface and a large gap on a quasi-two dimensional one, as in MgB_2. The field dependence of zero-energy density of states is compared for fields parallel and perpendicular to the ab plane, and the anisotropy of the vortex core shape is discussed for a parallel field. The Fermi surface geometry of two-bands, combining the effect of the normal-like electronic state on the small gap band at high fields, produces characteristic behavior in the anisotropy o…
Electronic bands near the Fermi energy with minimal energy dispersion in k-space, i.e. "flat bands", are often said to be an important characteristic of superconducting materials. When extending over a significant region of the k-space, this leads to peaks in the electronic density of states. If one could systematically search the calculated electronic structures of materials, already available through the Materials Genome Initiative, for such peaks, then the rate of new superconductor discovery could be accelerated greatly. Here we test whether this characteristic actually distinguishes known…
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