Related papers: Electronic structure of non-centrosymmetric superc…
The electronic structures of R2Fe3Si5 (where R = Lu, Tm, Er, Tb, Yb) intermetallics have been calculated from first principles in local-spin density (LSDA) and LSDA + U approaches. The majority of rare-earth iron silicides, except for the…
We report the electronic structure and related properties of the superconductor Ta2PdSe5 as determined from density functional calculations. The Fermi surface has two disconnected sheets, both derived from bands of primarily chalcogenide p…
We report the electronic structure of the iron-chalcogenide superconductor, Fe1.04(Te0.66Se0.34), obtained with high resolution angle-resolved photoemission spectroscopy and density functional calculations. In photoemission measurements,…
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…
Based on First-principles calculation, we have investigated electronic structure of a ZrCuSiAs structured superconductor LaNiPO. The density of states, band structures and Fermi surfaces have been given in detail. Our results indicate that…
We report an investigation of the superconducting properties of the hexagonal noncentrosymmetric compound LaPdIn. Electrical resistivity, specific heat and ac susceptibility measurements demonstrate the presence of bulk superconductivity…
The electronic properties of the heavy metal superconductor LaIr3 are reported. The estimated superconducting parameters obtained from physical properties measurements indicate that LaIr3 is a BCS-type superconductor. Electronic band…
We discuss the electronic structure, lattice dynamics and electron-phonon interaction of newly discovered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_{2}$ using density functional based calculations. A strong Fermi surface nesting at…
Electronic structure of recently discovered isotypic ternary borides Li$_2$Pd$_3$B and Li$_2$Pt$_3$B, with noncentrosymmetric crystal structures, is studied with a view to understanding their superconducting properties. Estimates of the…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
Most superconducting materials have an inversion center in their crystal lattices. One of few exceptions is the recently discovered heavy-fermion superconductor CePt3Si [E. Bauer et al, Phys. Rev. Lett. 92, 027003 (2004)]. In this paper, we…
The densities of the valence and conduction band electronic states of the newly discovered layered superconductors LaOFeAs, LaO$_{0.87}$F$_{0.13}$FeAs (Tc=26 K), SmO$_{0.95}$F$_{0.05}$FeAs and SmO$_{0.85}$F$_{0.15}$FeAs (Tc=43 K) are…
The electronic structure of quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$ is studied through systematic first-principles calculations. The ground state of K$_2$Cr$_3$As$_3$ is paramagnetic but very close to a ferromagnetic…
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…
The paramagnetic properties in non-centrosymmetric superconductors with and without antiferromagnetic (AFM) order are investigated with focus on the heavy Fermion superconductors, CePt_3Si, CeRhSi_3 and CeIrSi_3. First, we investigate the…
In this study, we investigate the electronic structure of a spin-triplet superconductor candidate CeRh$_2$As$_2$ using high-resolution angle-resolved photoemission spectroscopy and density functional theory calculations. Notably, Fermi…
First-principles calculations within the density functional theory (DFT) with GGA-PBE exchange-correlation scheme have been employed to predict the structural, the elastic and the electronic properties of newly discovered lithium silicide…
After theoretical determination of the internal structural coordinates in Li$_2$Pd$_3$B, we calculate and analyze its electronic structure and obtain the frequencies of the two $A_g$ phonons (40.6 meV for nearly pure Li mode, 13.0 meV for…
The iron-based LaFeAsO$_{1-x}$F$_x$ recently discovered by Hosono's group is a fresh theoretical challenge as a new class of high-temperature superconductors. Here we describe the electronic structure of the material and the mechanism of…
BaFe2S3 is a special iron superconductor with two-leg ladder structure which can help to unravel the role played by the electronic correlations in high-Tc superconductivity. At zero pressure it is insulating with stripe antiferromagnetic…