Study of phase stability of MnCr using the augmented space recursion based orbital peeling technique

TL;DR

This paper extends a recursion-based methodology combining augmented space and orbital peeling techniques to analyze phase stability in MnCr alloys, providing a computational approach for small energy difference calculations.

Contribution

The paper introduces an extended methodology for studying phase stability in MnCr alloys using augmented space recursion and orbital peeling techniques.

Findings

Successfully applied the method to MnCr alloys

Demonstrated accurate calculation of small energy differences

Provided insights into phase stability of MnCr

Abstract

In an earlier communication we have developed a recursion based approach to the study of phase stability and transition of binary alloys. We had combined the recursion method introduced by Haydock, Heine and Kelly and the our augmented space approach with the orbital peeling technique proposed by Burke to determine the small energy differences involved in the discussion of phase stability. We extend that methodology for the study of MnCr alloys.