ELECTRONIC-STRUCTURE OF ORDERED AND DISORDERED CU-AG ALLOYS

Citation
Nc. Bacalis et al., ELECTRONIC-STRUCTURE OF ORDERED AND DISORDERED CU-AG ALLOYS, Physical review. B, Condensed matter, 55(4), 1997, pp. 2144-2149
Citations number
18
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
55
Issue
4
Year of publication
1997
Pages
2144 - 2149
Database
ISI
SICI code
0163-1829(1997)55:4<2144:EOOADC>2.0.ZU;2-U
Abstract
We present a study of the electronic structure of Cu-Ag alloys. This w ork includes total-energy evaluations, band structure, and density of states (DOS) determinations using the augmented-plane-wave method for the L1(2), B1, and B2 structures. We also study the corresponding diso rdered phases of these alloys by the tight-binding coherent potential approximation. Our results confirm the B2 and L1(2) (Cu reach) as the stable structures of these systems. We compare the DOS with experiment and other calculations, and confirm the absence of both magnetism and superconductivity in these alloys. Finally we estimate charge transfe r for these alloys from Cu to Ag.