Physics NotePublished
The Structure and Stability of Cluster-Assembled Solid A First Principle Study
X.G. Gong
1996
Publication details
- Authors
- X.G. Gong
- Type
- Physics Note
- Status
- Published
- Publication date
- 1996
- Description
- We have proposed a possible crystal structure for the cluster-assembled solid <math>Al_{12}Si\,\!</math> and its properties have been studied by first principles methods. We find that <math>Al_{12}Si\,\!</math> clusters can be condensed as a van der Waals solid with a small cohesive energy of 1.06 eV, and there is an energy gap of 1.4 eV which indicates that <math>Al_{12}Si\,\!</math> solid can be a semiconductor. The stability of <math>Al_{12}Si\,\!</math> solid is confirmed by performing ''ab-initio'' molecular-dynamics simulations.
- Year
- 1996
- Number
- CBPF-NF-032/96
- Linked to a thesis
- No
- Linked to a grant
- No