Augmented-space recursive method for the study of short-ranged ordering effects in binary alloys

Abstract

We propose a combination of the generalized augmented-space theorem and the recursion method of Haydock et al. to study short-ranged ordering effects in binary alloys. We apply this technique to a tight-binding linear muffin-tin orbitals study of 50-50 AgPd and 50-50 paramagnetic FeNi and predict ordering in the former and segregation in the latter. This is in qualitative agreement with earlier embedded-cluster methods.