Relativistic electronic structure of random alloys and their surfaces by linear band-structure methods

An efficient Green's-function method is developed to calculate electronic and ground-state properties of heavy-elements containing random alloys and their surfaces. Based on the local-density approximation, the all-electron fully relativistic linear-muffin-tin-orbital method in the tight-binding representation is used to describe disorder within the coherent-potential approximation and the semi-infinite geometry of surfaces. As a first application the electronic and ground-state properties of a random fcc-Cu₇₅{Au}₂₅$ alloy and its (001) surface are evaluated.