AB-INITIO CALCULATIONS OF CDS, CDSE AND CDTE SURFACES

Citation
D. Vogel et al., AB-INITIO CALCULATIONS OF CDS, CDSE AND CDTE SURFACES, Surface science, 404(1-3), 1998, pp. 774-777
Citations number
16
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00396028
Volume
404
Issue
1-3
Year of publication
1998
Pages
774 - 777
Database
ISI
SICI code
0039-6028(1998)404:1-3<774:ACOCCA>2.0.ZU;2-3
Abstract
We very briefly address structural and electronic properties of nonpol ar (110) and (<10(1)over bar 0>) surfaces Cd compound semiconductors. All calculations have been carried out self-consistently within local density approximation employing separable norm-conserving pseudopotent ials. The electronic structure has been calculated including spin-orbi t coupling and self-interaction and relaxation corrections. Our ab-ini tio results are found to be in good agreement with experiment data. (C ) 1998 Elsevier Science B.V. All rights reserved.