STRUCTURAL STABILITY AND ENERGETICS OF SI4 ISOMERS - TOTAL ELECTRONIC-ENERGY CALCULATION

KATIRCIOGLU S., ERKOC S.

CHEMICAL PHYSICS LETTERS, vol.184, pp.118-120, 1991 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 184
  • Publication Date: 1991
  • Doi Number: 10.1016/0009-2614(91)87174-a
  • Journal Name: CHEMICAL PHYSICS LETTERS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.118-120
  • Middle East Technical University Affiliated: Yes

Abstract

The structural stability and energetics of Si4 isomers have been investigated by using an empirical tight-binding (ETB) method. It has been found that the most stable Si4 microcluster is an exact tetrahedron with T(d) symmetry.