Electronic structure of liquid metals and alloys

Abstract

The density of states and momentum distribution function in liquid Na–K, Ag–Au, Pb–Sn, Cu–Sn, Hg–Bi, Hg–In systems have been calculated on the basis of Edwards’ theory, using the complex energy approximation proposed by Ballentine. Various pseudopotentials and structure factors are used. It is found that the thickness of the Fermi shell for the alloys is larger than that for the pure components except for the Hg–In system. The curve of density of states at the Fermi energy is close to the free-electron value except for the Ag–Au systems, in which the modified Borchi and De Gennaro potentials are used, but its shape near the bottom of the band sometimes differs from the free-electron curve. The density of states of Hg, which has a small dip near the Fermi level when Evens’ model potential is employed, is rather free-electron-like, while the curve in the Hg–In system becomes more smooth.