Electronic structure and transport in liquid transition metals

Abstract

By means of the KKR method for the Green function of any system of non-overlapping muffin-tin potentials, the authors investigate the electronic structure of liquid transition metals. The density of states (DOS) curve of liquid Ni is calculated in several single-site approximations. The effective-medium approximation (EMA), proposed by Roth (1974), gives a reasonable DOS curve, which is surprisingly close to that of solid Ni with FCC structure. Using that DOS, the susceptibilities and entropies of liquid transition metals are analysed and compared with experiment. The electrical resistivities of liquid transition metals are also calculated, and reasonable agreement with experiment is obtained.