Molecular-dynamics simulations of surface and bulk properties of Zn, Cd, and ZnCd systems


Amirouche L., Erkoc S.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, vol.241, no.2, pp.292-297, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 241 Issue: 2
  • Publication Date: 2004
  • Doi Number: 10.1002/pssb.200301936
  • Title of Journal : PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
  • Page Numbers: pp.292-297

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.