STRUCTURAL STABILITY AND ENERGETICS OF SI4 ISOMERS - TOTAL ELECTRONIC-ENERGY CALCULATION
CHEMICAL PHYSICS LETTERS, vol.184, pp.118-120, 1991 (SCI-Expanded, Scopus)
- 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.