AN EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CONSTRUCTED FROM PAIR-INTERACTIONS


ERKOC S.

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, cilt.32, ss.257-260, 1994 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 32 Konu: 3
  • Basım Tarihi: 1994
  • Doi Numarası: 10.1007/bf01437156
  • Dergi Adı: ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS
  • Sayfa Sayıları: ss.257-260

Özet

A new empirical potential energy function (PEF) is proposed, which is formed from pair-interactions only, and contains the many-body contributions; The PEF satisfies bulk cohesive energy and bulk stability condition. The PEF is parameterized for copper, silver, and gold elements in fee crystal structure. The elastic constants C-11 and C-12 and the bulk modulus of the elements are calculated, and the structural stability and energetics of microclusters containing 3 to 7 atoms of the same elements are investigated.