CALCULATED ATOMIC STRUCTURES OF ZNS, ZNSE AND ZNTE (110) SURFACES

Authors
ALVES JLA WATARI K FERRAZ AC
Citation
Jla. Alves et al., CALCULATED ATOMIC STRUCTURES OF ZNS, ZNSE AND ZNTE (110) SURFACES, Solid state communications, 87(11), 1993, pp. 1001-1004
Citations number
22
Categorie Soggetti
Physics, Condensed Matter
Journal title
Solid state communications → ACNP
ISSN journal
00381098
Volume
87
Issue
11
Year of publication
1993
Pages
1001 - 1004
Database
ISI
SICI code
0038-1098(1993)87:11<1001:CASOZZ>2.0.ZU;2-1
Abstract
In this paper we describe a systematic study of the atomic geometry of ZnS,ZnSe and ZnTe (110) surfaces. We analyse the trend for the equili brium atomic structures in connection with the ionicity of the materia ls. We report calculations which are based on the density-functional t heory (DFT), the local-density aproximation (LDA) for the exchange-cor relation and the self-consistent ab-initio pseudopotencial approach.