Related papers: Electronic structure properties and BCS supercondu…
We present a first-principles study of the electronic structure and superconducting parameters of the compounds $A$Os$_2$O$_6$ ($A$ = Na, K, Rb, and Cs) and at ambient and applied hydrostatic pressure. We find that the sensitivity of the…
We performed high-pressure transport measurements on high-quality single crystals of KOs2O6, a beta-pyrochlore superconductor. While the resistivity at high temperatures might approach saturation, there is no sign of saturation at low…
We report the basic thermodynamic properties of the new geometrically frustrated beta-pyrochlore bulk superconductor RbOs2O6 with a critical temperature Tc = 6.4 K. Specific heat measurements are performed in magnetic fields up to 12 T. The…
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…
Superconducting and normal-state properties of the beta-pyrochlore oxide KOs2O6 are studied by means of thermodynamic and transport measurements. It is shown that the superconductivity is of conventional s-wave type and lies in the…
High-quality polycrystalline SmFeAsO0.75 was synthesized with a superconducting transition width less than 1 K, and the electronic behavior was systematically studied by transport and specific heat measurements. An obvious superconducting…
First principles density functional calculations within the local spin density approximation (LSDA) and the generalized gradient approximation (GGA) are reported for pyrochlore Cd$_2$Os$_2$O$_7$ and Cd$_{2}$Re$_{2}$O$_7$. The transition…
In this review, I present the electronic properties of the beta-pyrochlore oxide CsW2O6 and other related materials. At 215 K, CsW2O6 exhibits an electronic phase transition to a nonmagnetic insulating state, which exhibits a complex…
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…
The electronic structure of $\beta$-Ti$_{6}$Sn$_{5}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that $\beta$-Ti$_{6}$Sn$_{5}$ is very close to 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…
We report the discovery of a new pyrochlore oxide superconductor RbOs2O6. The compound crystallizes in the same beta-pyrochlore structure as the recently discovered superconductor KOs2O6, where Os atoms form a corner-sharing tetrahedral…
We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to…
A comprehensive investigation of the electronic and magnetic properties of NaOsO3 has been made using the first principle calculations, in order to understand the importance of Coulomb interaction, spin-orbit coupling and magnetic order in…
The electronic structures, charge and spin dynamics of the cobalt pnictide compounds ACo2As2 (A=Ba, Sr, Ca) in the paramagnetic state are investigated by using density functional theory combined with dynamical mean-field theory. In contrast…
The physical properties of the Zr$_5$Pt$_3$ compound with interstitial carbon in hexagonal D8$_8$-structure was investigated. A set of macroscopic measurements reveal a bulk superconducting at approximately 7 K for Zr$_5$Pt$_3$C$_{0.3}$…
In the family of the iron-based superconductors, the $RE$FeAsO-type compounds (with $RE$ being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures ($T_{\mathrm{c}}$) up to $55\ \textrm{K}$ and thus hold the…
We performed an optical spectroscopy measurement on single crystals of $\mathrm{Ba_2Ti_2Fe_2As_4O}$, which is a newly discovered superconductor showing a coexistence of superconductivity and density wave order. The study reveals a spectral…
CaFe2As2 exhibits collapsed tetragonal (cT) structure and varied exotic behavior under pressure at low temperatures that led to debate on linking the structural changes to its exceptional electronic properties like superconductivity,…
Superconductivity in the potassium osmium oxide KOs2O6 crystallizing in the beta-pyrochlore structure is studied by means of electrical resistivity, magnetic susceptibility and specific heat. It is the second superconductor in the family of…