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, vol.177, no.2, pp.373-378, 1993 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 177 Issue: 2
  • Publication Date: 1993
  • Doi Number: 10.1002/pssb.2221770212
  • Title of Journal : PHYSICA STATUS SOLIDI B-BASIC RESEARCH
  • Page Numbers: pp.373-378

Abstract

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.