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Geometry and energetics of Si~60~isomers by Q. Sun; Q. Wang; P. Jena; J.Z. Yu; Y. Kawazoe is a Materials Science article available to read on EtoBox.

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The novel electronic, optical and super-conducting properties exhibited by C 60 and its assembled materials have greatly stimulated the scientists all over the world racing to study Si 60 . In this paper we performed an extensive search from eighteen isomers including cages, wires, and stuffed structures of Si. It is found that the fullerene cage is not stable, and the tricapped-trigonal-prism unit is not the structural unit for Si 60 . While the spherical compact structure is the most stable energetically, in agreement with experiments which suggested a transition from the elongated geometry to a more spherical one for the medium sized Si clusters [

Who reads Geometry and energetics of Si~60~isomers?

Author

Q. Sun; Q. Wang; P. Jena; J.Z. Yu; Y. Kawazoe

Publisher

Institute of Physics and National Institute of Materials Science; Informa UK (Taylor & Francis); Taylor & Francis; Informa UK Limited (ISSN 1468-6996)

Published

2003

Language

EN

Field

Materials Science (Physical Sciences)