EMPIRICAL TIGHT-BINDING TOTAL ELECTRONIC-ENERGY CALCULATION FOR SINH2M (N = 1 TO 6, M = 1 TO 3) CLUSTERS


KATIRCIOGLU S. , ERKOC S.

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, cilt.177, ss.373-378, 1993 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 177 Konu: 2
  • Basım Tarihi: 1993
  • Doi Numarası: 10.1002/pssb.2221770212
  • Dergi Adı: PHYSICA STATUS SOLIDI B-BASIC RESEARCH
  • Sayfa Sayıları: ss.373-378

Özet

The stable structures of SinH2m (n = 1 to 6, m = 1 to 3) clusters are investigated by the total electronic energy calculation using an empirical tight-binding (ETB) method. It seems that bridged H-bond models are also possible for small Si(n)H(m) clusters.