Electronic structure and short-range order of amorphous and crystalline alloys in the coherent locator approximation

Abstract Calculations of the density of valence states, the charge transfer and the free energy for amorphous alloys of transition metals were performed to determine the short range order parameter. An estimate of the influence of topological disorder on the electronic structure was also made analytically to obtain the exact solution of the coherent potential approximation (CPA) equations with a Lorenzian-like shape describing the density of states of pure metals. Ni-Zr and Fe-Zr alloys were considered as specific examples.