Related papers: Possible Superconductivity in Fe-Sb Based Material…
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…
The mechanism of high temperature superconductivity in the iron-based superconductors remains an outstanding issue in condensed matter physics. The electronic structure, in particular the Fermi surface topology, is considered to play an…
Here we report the electronic structure of FeS, a recently identified iron-based superconductor. Our high-resolution angle-resolved photoemission spectroscopy studies show two hole-like ($\alpha$ and $\beta$) and two electron-like ($\eta$…
Spectroscopy of vortex bound states can provide valuable information on the structure of the superconducting order parameter. Quasiparticle wavefunctions are expected to leak out in the directions of gap minima or nodes, if they exist, and…
We compute the electronic structure, momentum resolved spectral function and optical conductivity of the new superconductor LaO$_{1-x}$F$_x$FeAs within the combination of the Density functional theory and the Dynamical Mean Field Theory. We…
FeSe-derived superconductors show some unique behaviors relative to iron-pnictide superconductors, which are very helpful to understand the mechanism of superconductivity in high-Tc iron-based superconductors. The low-energy electronic…
Study of Fe based compounds have drawn much attention due to the discovery of superconductivity as well as many other exotic electronic properties. Here, we review some of our works in these materials carried out employing density…
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…
Detailed tunneling spectroscopy of vortex core states can provide important insight to the momentum structure of the superconducting order parameter. We present a theoretical study of vortex bound states in iron-based superconductors by use…
The electronic structure of the superconducting surface sheath in a type-II superconductor in magnetic fields $H_{c2}<H<H_{c3}$ is calculated self-consistently using the Bogoliubov-de Gennes equations. We find that the pair potential…
The structural, elastic, electronic, Vickers-Hardness, vibrational, Optical and thermodynamical properties of potentially technologically significant superconductors CuRh2S4 and CuRh2Se4 have calculated using density functional theory (DFT)…
Superconducting pnictides are widely found to feature spin-singlet pairing in the vicinity of an antiferromagnetic phase, for which nesting between electron and hole Fermi surfaces is crucial. LiFeAs differs from the other pnictides by (i)…
Fe-based superconductors exhibit a diverse interplay between charge, orbital, and magnetic ordering1-4. Variations in atomic geometry affect electron hopping between Fe atoms5,6 and the Fermi surface topology, influencing magnetic…
The band structure and the Fermi surface of the recently discovered superconductor (EMIM)$_x$FeSe are studied within the density functional theory in the generalized gradient approximation. We show that the bands near the Fermi level are…
The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the…
Superconductivity (SC) may microscopically coexist with density wave (DW) when the nesting of the Fermi surface (FS) is not perfect. There are, at least, two possible microscopic structures of a DW state with quasi-particle states remaining…
Superconductivity in alkali-intercalated iron selenide, with T_c's of 30K and above, may have a different origin than that of the other Fe-based superconductors, since it appears that the Fermi surface does not have any holelike sheets…
We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include…
FeSe is an iron-based superconductor of immense current interest due to the large enhancements of Tc that occur when it is pressurized or grown as a single layer on an insulating substrate. Here we report precision measurements of its…
In this paper, we have presented the density functional theory (DFT) based calculations performed within the first-principles pseudopotential method to investigate the physical properties of the newly discovered superconductor LaRu2As2 for…