Molecular-dynamics simulations of surface and bulk properties of Zn, Cd, and ZnCd systems
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, vol.241, no.2, pp.292-297, 2004 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 241 Issue: 2
- Publication Date: 2004
- Doi Number: 10.1002/pssb.200301936
- Journal Name: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.292-297
- Middle East Technical University Affiliated: No
Abstract
Surface and bulk properties of Zn, Cd, and ZnCd systems have been investigated by performing molecular-dynamics simulations using a recently developed empirical many-body potential energy function for these systems, which comprices two- and three-body atomic interactions. Surface reconstruction and multilayer relaxation on clean surfaces, adatom on surface, substitutional atom on surface and bulk materials, and vacancy on surface and bulk materials have been studied extensively. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.