Structure and bonding of small semiconductor clusters
- 15 July 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 36 (2), 1208-1217
- https://doi.org/10.1103/physrevb.36.1208
Abstract
We calculate the geometrical and electronic structure of small , , and clusters up to sites n=14 within a combined tight-binding–density-functional-theory scheme. Especially stable structures for n=6 and 10 coincide with observed abundancies in the experimental mass spectra. All equilibrium structures are found to be close packed, with a different bonding than found in the bulk fragments. A transition to bulklike open structures is estimated to occur at cluster sizes n≊–. .AE
Keywords
This publication has 32 references indexed in Scilit:
- Covalent Group IV Atomic ClustersScience, 1987
- Carrier confinement and special crystallite dimensions in layered semiconductor colloidsPhysical Review B, 1986
- Calculation of Magic Numbers and the Stability of Small Si ClustersPhysical Review Letters, 1986
- Photofragmentation of Mass-ResolvedClustersPhysical Review Letters, 1985
- Hydrogen chemisorption on transition metal clustersThe Journal of Chemical Physics, 1985
- Excited electronic states and optical spectra of ZnS and CdS crystallites in the ≊15 to 50 Å size range: Evolution from molecular to bulk semiconducting propertiesThe Journal of Chemical Physics, 1985
- Electronic Shell Structure and Abundances of Sodium ClustersPhysical Review Letters, 1984
- Magic Numbers for Sphere Packings: Experimental Verification in Free Xenon ClustersPhysical Review Letters, 1981
- Microscopic Theory of the Phase Transformation and Lattice Dynamics of SiPhysical Review Letters, 1980
- Extended X-Ray—Absorption Fine Structure of Small Cu and Ni Clusters: Binding-Energy and Bond-Length Changes with Cluster SizePhysical Review Letters, 1979