Atomic and Electronic Structures of Semiconductor Clusters
We discuss the magic number and its origin of clusters of group-IV atoms, semiconductor clusters, based on the non-spher1cal model potential study and electronic structure calculations. Stable structures determined by the model potential for the sp3-hybr1d1zed atom are found to be classified into two groups of having six- and five-membered rings, the crystalline and amorphous series, respectively. Magic numbers are 6,10,14,18... for the crystalline series and 5,10,12,16,18,20... for the amorphous series. Detailed reconstruction mechanisms of the magic number clusters are discussed by the analysis of electronic structures of Si6, Si10, Si14, and Si26 of the crystalline series and Si5 and Si20 of the amorphous series. It 1s proposed that the driving force for the reconstruction of clusters of the crystalline series comes from the significant contraction of triangles formed by three atoms in the Si(111) surface induced by the interaction between dangling bonds.
KeywordsMagic Number Transfer Parameter Dangling Bond Atomic Element Semiconductor Cluster
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- 1.Proc. 2nd Int. Meet. Small Particles and Inorganic Clusters, Lausanne, 1980, Surf.Sci. 106 (1981). Proc. 3rd Int. Meet. Small Particles and Inorganic Clusters, Berlin, 1984, Surf.Sci. 156 (1985).Google Scholar
- 8.B. P. Feuston, R. K. Kalia, and P. Vashisthta, private communication.Google Scholar
- 13.C. Satoko, Chem. Phys. Lett. 47:490 (1981)Google Scholar