Article contents
Atomic and Electronic Properties of Small Hydrogenated Silicon Clusters: Si6H2m and Si6H+2m+1
Published online by Cambridge University Press: 15 February 2011
Abstract
The atomic and electronic structures of Si6H2m and Si6H+2m+1 clusters have been investigated in the framework of density-functional theory. For both neutral and ionized clusters we found the structure to belong to one of four distinct structural families. A molecular-orbital picture of hydrogenation is presented. From the calculated formation energies of these clusters, we infer the relative stability of the different structural families discussed.
- Type
- Research Article
- Information
- Copyright
- Copyright © Materials Research Society 1997
References
REFERENCES
- 1
- Cited by