Structure of Silicon Clusters

Details Structure of Silicon Clusters Structure of Silicon Clusters

1995-02-08

arxiv.org/abs/chem-ph/9502002v1

Physics

Chemical Physics

Surface Review and Letters (in press), 7 pages + 4 figures. ftp://ramanujan.chem.nyu.edu/pub/ab2.ps

Scientific paper

10.1142/S0218625X96000620

We determined the structures of silicon clusters in the 11-14 atom size range using the tight-binding molecular dynamics method. These calculations reveal that \Si{11} is an icosahedron with one missing cap, \Si{12} is a complete icosahedron, \Si{13} is a surface capped icosahedron, and \Si{14} is a 4-4-4 layer structure with two caps. The characteristic feature of these clusters is that they are all surface.

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