RECURSION METHOD IN AUGMENTED SPACE

Abstract

A new method for configuration averaging in random binary alloy problem is proposed which combines the augmented space method with Haydock’s recursion scheme. The basis members of the augmented space are represented by a series of binary words (the multi-spin coding technique). Haydock’s recursion scheme is employed to obtain the resolvent of the Hamiltonian in the augmented space formalism. The configuration averaged DOS is obtained from the resolvent. The procedure is illustrated by applying it to a simple s-state model of random binary alloy on a simple cubic structure. We have also applied the method to calculate the density of states for CuAg alloys using both the LCAO and TB-LMTO methods.