Related papers: Electron-Phonon Superconductivity in LaO$_{0.5}$F$…
We discuss the electronic structure, lattice dynamics and electron-phonon interaction of newly discovered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_{2}$ using density functional based calculations. A strong Fermi surface nesting at…
Using the density-functional perturbation theory with structural optimization, we investigate the electronic structure, phonon spectra, and superconductivity of BiS2-based layered compounds LaO1-xFxBiS2. For LaO0.5F0.5BiS2, the calculated…
Superconductivity in novel bismuth-sulphur superconductors has attracted large research efforts, both experimental and theoretical, but a consensus on the nature of superconductivity in these materials has yet to be reached. Using density…
In this paper we calculate the electron-phonon coupling of the newly-discovered superconductor LaO$_{1-x}$F$_x$FeAs from first-principles, using Density Functional Perturbation Theory. For pure LaOFeAs, the calculated electron-phonon…
Neutron scattering measurements have been performed on polycrystalline samples of the newly discovered layered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_{2}$, and its nonsuperconducting parent compound LaOBiS$_{2}$. The crystal structures and…
Very recently a new family of layered materials, containing BiS2 planes was discovered to be superconducting at temperatures up to Tc=10 K, raising questions about the mechanism of superconductivity in these systems. Here, we present…
A density functional theory study of the BiS$_{2}$ superconductors containing rare-earths: \textit{Ln}O$_{1-x}$F$_{x}$BiS$_{2}$ (\textit{Ln} = La, Ce, Pr, and Nd) is presented. We find that CeO$_{0.5}$F$_{0.5}$BiS$_{2}$ has competing…
The electron-phonon coupling of LaO$_{1-x}$F$_x$FeAs is re-investigated on the basis of density functional theory in local density approximation. The implications of the $(\pi,\pi)$ nesting of the Fermi surfaces are carefully studied and…
The electronic structure of nearly optimally-doped novel superconductor LaO$_{1-x}$F$_x$BiS$_2$ (${\it x}$ = 0.46) was investigated using angle-resolved photoemission spectroscopy (ARPES). We clearly observed band dispersions from 2 to 6 eV…
Competing ferroelectric and charge density wave phases have been proposed to be present in the electron-phonon coupled LaO$_{1-x}$F$_{x}$BiS$_{2}$ superconductor. The lattice instability arises from unstable phonon modes that can break the…
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.…
We have studied the newly found superconductor compound LaO$_{1-x}$F$_x$FeAs through the first-principles density functional theory calculations. We find that the parent compound LaOFeAs is a quasi-2-dimensional antiferromgnetic semimetal…
We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum, magnetism and electron-phonon coupling for the superconducting phase FeSe, as well as the related compounds FeS and FeTe. We find that…
In this study, the superconducting gap symmetry of LaO$_{0.5}$F$_{0.5}$BiSSe is elucidated through specific heat measurements with one single crystal of LaO$_{0.5}$F$_{0.5}$BiSSe. A clear jump is observed at 3.95 K in…
NdO$_{0.5}$F$_{0.5}$BiS$_{2}$ is a new layered superconductor. We have studied the low-lying electronic structure of a single crystalline NdO$_{0.5}$F$_{0.5}$BiS$_{2}$ superconductor, whose superconducting transition temperature is 4.87K,…
We use core level and valence band soft x-ray photoemission spectroscopy (SXPES) to investigate electronic structure of new BiS$_{2}$ layered superconductor LaO$_{1-x}$F$_{x}$BiS$_{2}$. Core level spectra of doped samples show a new…
We investigate the properties of BaNi$_2$As$_2$ using first principles calculations. The band structure has a similar shape to that of the BaFe$_2$As$_2$, and in particular shows a pseudogap between a manifold of six heavy $d$ electron…
The attempt to understand cuprate superconductors is complicated by the presence of multiple strong interactions. While many believe that antiferromagnetism is important for the superconductivity, there has been revived interest in the role…
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…
We investigate the electronic and other properties of the hypothetical compound LiFeSb in relation to superconducting LiFeAs and FeSe using density functional calculations. The results show that LiFeSb in the LiFeAs structure would be…