Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
A Theoretical Study of the Stability of the Fullerene-Like Cage Structures of Silicon Clusters
Kaoru KobayashiShigeru Nagase
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1993 Volume 66 Issue 11 Pages 3334-3338


In order to provide theoretical insight into the structures of silicon clusters of current interest, several representative structural models proposed up to now for the medium size clusters are investigated by means of semi-empirical and ab initio molecular orbital calculations. Unlike general expectation based on the hitherto proposed structural models, it is suggested that silicon clusters also prefer spherical cage (fullerene-like) frameworks with the increase in the size, as do carbon clusters.

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© 1993 The Chemical Society of Japan
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