The electronic structure of CuCl

Citation
M. Ferhat et al., The electronic structure of CuCl, COMP MAT SC, 20(2), 2001, pp. 267-274
Citations number
39
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
COMPUTATIONAL MATERIALS SCIENCE
ISSN journal
09270256 → ACNP
Volume
20
Issue
2
Year of publication
2001
Pages
267 - 274
Database
ISI
SICI code
0927-0256(200102)20:2<267:TESOC>2.0.ZU;2-B
Abstract
We report a systematic study of the electronic properties of zinc-blende Cu Cl. The band structure, valence and conduction effective mass, density of s tates (DOS) and charges densities are calculated using the local density al l-electron full-potential linearized augmented plane wave (FLAPW) method. O ur results are in agreement with a host of theoretical and experimental dat a yielding a consistent description of electronic properties of this class of technologically important semiconductor compounds. (C) 2001 Elsevier Sci ence B.V. All rights reserved.