Density functional study of FeS, FeSe, and FeTe: Electronic structure, magnetism, phonons, and superconductivity
Density functional study of FeS, FeSe, and FeTe: Electronic structure, magnetism, phonons, and superconductivity
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 the Fermi-surface structure of these compounds is very similar to that of the Fe-As based superconductors, …