ORDER-N GREENS-FUNCTION TECHNIQUE FOR LOCAL ENVIRONMENT EFFECTS IN ALLOYS

Citation
Ia. Abrikosov et al., ORDER-N GREENS-FUNCTION TECHNIQUE FOR LOCAL ENVIRONMENT EFFECTS IN ALLOYS, Physical review letters, 76(22), 1996, pp. 4203-4206
Citations number
27
Categorie Soggetti
Physics
Journal title
ISSN journal
00319007
Volume
76
Issue
22
Year of publication
1996
Pages
4203 - 4206
Database
ISI
SICI code
0031-9007(1996)76:22<4203:OGTFLE>2.0.ZU;2-3
Abstract
We have developed a new approach to the calculations of ground state p roperties of large crystalline systems with arbitrary atomic configura tions based on a Green's function technique in conjunction with a self -consistent effective medium for the underlying randomly occupied latt ice. The locally self-consistent multiple scattering method and the co herent potential approximation are two simple limits of our general fo rmulation. The efficiency and the excellent convergence properties of the method are demonstrated in calculations for two alloy systems, Cu- Zn and Rh-Pd.