Abstract

In an earlier communication we have developed a recursion based approach to the study of phase stability and transition of binary alloys [K. Tarafder, M. Rahaman, D. Paudyal, B. Sanyal, O. Eriksson, A. Mookerjee, Physica B 403 (2000) 4111]. We had combined the recursion method introduced by Haydock et al. [J. Phys. C Solid State Phys. 5 (1972) 2485] and the our augmented space approach [A. Mookerjee, J. Phys. C Solid State Phys. 6 (1973) 1340] with the orbital peeling technique proposed by Burke [Surf. Sci. 58 (1976) 349] to determine the small energy differences involved in the discussion of phase stability. We extend that methodology for the study of MnCr alloys.

Rudra Banerjee

Assistant Professor, Computational Condensed Matter

My research interests include Computational Physics, disordered materials and thermodynamics.