Augmented-space cluster coherent potential approximation for binary random and short-range ordered alloys
2009 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 79, no 5, 054201- p.Article in journal (Refereed) Published
We use the earlier ideas of Razee and Prasad [Phys. Rev. B 45, 3265 (1992); Phys. Rev. B 48, 1349 (1993)], Datta [Phys. Rev. B 48, 8567 (1993)], and Mookerjee and Prasad [Phys. Rev. B 48, 17724 (1993)] to propose and implement a cluster generalization of the coherent potential approximation within a tight-binding linear muffin-tin orbital minimal basis set for binary alloys which are either random or have short-range order. In particular, we shall apply the technique to the CuZn alloys and compare it with other approaches.
Place, publisher, year, edition, pages
2009. Vol. 79, no 5, 054201- p.
copper alloys, linear muffin-tin orbital method, tight-binding calculations, tin alloys
Metallurgy and Metallic Materials
IdentifiersURN: urn:nbn:se:kth:diva-129337DOI: 10.1103/PhysRevB.79.054201ISI: 000263815400033OAI: oai:DiVA.org:kth-129337DiVA: diva2:651744
QC 201309272013-09-272013-09-272013-09-27Bibliographically approved