A relativistic theory of electronic structure in AucPt1-calloys

Abstract

The authors have used the fully relativistic version of the Korringa-Kohn-Rostoker coherent potential approximation to study the electronic structure of Au_cPt_1-c random substitutional alloys. They have calculated the averaged density of states, partial density of states, and the Bloch spectral functions at various concentrations covering the full range. Contrary to previous assumptions, the results show clearly that these alloys do not follow the predictions of the rigid band model. Their calculated electronic contribution to the specific heat agrees well with experiment. They predict large relativistic effects in the soft X-ray absorption spectra. They have found well defined Fermi surfaces for all the alloys and have studied their evolution with concentration.