First-principles calculations of total energy for Cu-Pd disordered alloys

A method of calculating the total energy for disordered alloys is presented. A formula for the potential in the self-consistent Korringa-Kohn-Rostoker coherent-potential approximation is also given by using the muffin-tin approximation after the variation of the total energy is made. This method was applied to Cu-Pd alloys. The numerical results indicate that the disordered state is stable over the whole concentration range of Pd. This agrees with experiments.