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, cilt.241, ss.292-297, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 241 Konu: 2
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1002/pssb.200301936
  • Dergi Adı: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
  • Sayfa Sayıları: ss.292-297

Özet

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.