An augmented-space recursive technique for the calculation of electronic structure of random binary alloys

Abstract

We present here a computationally feasible and fast technique for obtaining the electronic structure of random alloys which allows us to incorporate effects like clustering, short-range order and off-diagonal disorder arising out of size mismatch and consequent lattice distortions. The method combines the augmented-space technique with the recursion method and the tight-binding LMTO. AgPd alloys are studied to illustrate our procedure.