Electronic structure, superconductivity, and spin fluctuations in the A15 compounds A3B: A=V, Nb; B=Ir,Pt,Au

Abstract
The electronic structure of six A15 compounds V3Ir, V3Pt, V3Au, Nb3Ir, Nb3Pt, and Nb3Au has been determined by means of self-consistent semirelativistic linear muffin-tin orbital band calculations. Parameters related to superconductivity such as electron-phonon coupling, transition temperature, electronic specific heat, and magnetic exchange enhancement are derived from the electronic-structure results. Generally the results obtained agree well with experimental values, with the exception of Nb3Pt and V3Au. In the former compound the density of states (DOS) has a sharp increase at EF making the exact DOS value uncertain. In V3Au the high calculated Tc and the Stoner factor indicate that spin fluctuations may be limiting the Tc.