RELATIVISTIC ELECTRONIC-STRUCTURE OF RANDOM ALLOYS AND THEIR SURFACESBY LINEAR BAND-STRUCTURE METHODS

Authors
DRCHAL V KUDRNOVSKY J WEINBERGER P
Citation
V. Drchal et al., RELATIVISTIC ELECTRONIC-STRUCTURE OF RANDOM ALLOYS AND THEIR SURFACESBY LINEAR BAND-STRUCTURE METHODS, Physical review. B, Condensed matter, 50(11), 1994, pp. 7903-7914
Citations number
53
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
50
Issue
11
Year of publication
1994
Pages
7903 - 7914
Database
ISI
SICI code
0163-1829(1994)50:11<7903:REORAA>2.0.ZU;2-0
Abstract
An efficient Green's-function method is developed to calculate electro nic and ground-state properties of heavy-elements containing random al loys and their surfaces. Based on the local-density approximation, the all-electron fully relativistic linear-muffin-tin-orbital method in t he tight-binding representation is used to describe disorder within th e coherent-potential approximation and the semi-infinite geometry of s urfaces. As a first application the electronic and ground-state proper ties of a random fcc-Cu75Au25 alloy and its (001) surface are evaluate d.