Electronic structure of noble or transition metal based alloys

Abstract

We study the electronic structure of dilute alloys of noble or transition metals, in a modified Slater-Koster model. The pure metal band structure is described by an interpolation scheme of hybridized tight binding and nearly free electron orbitals. The matrix elements of impurity potential between `s' basis functions are treated by a perturbation method. Within these approximations, we obtain exact formulae for the Green functions of the alloy, and for the displaced charge. We discuss specially the displaced charge, the transition matrix t, and the residual resistivity in the case of a potential localized on its own cell. We present the results of a numerical study of CuNi alloy.