Ab initio study of small zinc sulfide crystallites

Surface Science

Volumn 364, Issue 3, 1996, Pages 439-452

  Muilu, Juha ^a   Pakkanen, Tapani A ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

Ab initio quantum chemical methods and calculations; Clusters; Epitaxy; Growth; Models of surface chemical reactions; Quantum effects; Surface relaxation and reconstruction; Zinc sulfide

Indexed keywords

CALCULATIONS; CHEMICAL REACTIONS; CRYSTALS; ELECTRONIC STRUCTURE; ELECTRONS; ENERGY GAP; EPITAXIAL GROWTH; MOLECULAR ORIENTATION; QUANTUM THEORY; RELAXATION PROCESSES; ZINC SULFIDE;

FINITE CRYSTALLITE CLUSTERS; HARTREE-FOCK MOLECULAR ORBITAL METHOD; SURFACE RECONSTRUCTION; SURFACE RELAXATION;

SURFACE STRUCTURE;

EID: 0030242626     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00633-4     Document Type: Article

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