Density of States for Cu–Pd and Cu–Ag Disordered Alloys in the KKR Cluster-Coherent-Potential-Approximation

抄録

An expression for the density of states (DOS) is derived in the Korringa-Kohn-Rostoker cluster-coherent-potential approximation (KKR-CCPA) using the augmented space method. This expression is applied to the Cu–Pd and Cu–Ag disordered alloys in the 2-site cluster approximation. We present the DOS and the band structure energy for these alloys in the 2-site cluster approximation and discuss the effects of the cluster.