Study of phase stability in a class of binary alloys using augmented space recursion based orbital peeling technique

TitleStudy of phase stability in a class of binary alloys using augmented space recursion based orbital peeling technique
Publication TypeJournal Article
Year of Publication2008
AuthorsTarafder K, Rahaman M, Paudyal D, Sanyal B, Eriksson O, Mookerjee A
Journal TitlePhysica B-Condensed Matter
Volume403
Pages4111-4119
Date Published11/01
Type of ArticleArticle
ISBN Number0921-4526
Accession NumberISI:000261605600049
Keywordsdensity, EFFECTIVE CLUSTER INTERACTIONS, ENERGIES, FEPD, Orbital peeling, order, Phase stability, Recursion, SHORT-RANGE, surfaces, TRANSITION-METAL ALLOYS
Abstract

In this communication we have developed a recursion based approach to the study of phase stability and transition of binary alloys. We have combined the recursion method introduced by Haydock et al. [J. Phys. C: Solid State Phys. 5 (1972) 2845] 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 have studied three alloy systems: one which segregates and the other two orders at lower temperatures. (C) 2008 Elsevier B.V. All rights reserved.

DOI10.1016/j.physb.2008.08.010
Alternate JournalPhysica B