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arxiv: chem-ph/9502002 · v1 · submitted 1995-02-08 · chem-ph · cond-mat· physics.chem-ph

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Structure of Silicon Clusters

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classification chem-ph cond-matphysics.chem-ph
keywords clustersicosahedronsiliconstructuresurfaceatomcalculationscapped
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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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