STRUCTURES OF SILICON CLUSTERS

Jun Pan, Atul Bahel and Mushti V. Ramakrishna
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Atul Bahel: Department of Chemistry, New York University, New York, NY 10003-6621, USA
Mushti V. Ramakrishna: Department of Chemistry, New York University, New York, NY 10003-6621, USA

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 341-345

Abstract: 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 Si11is an icosahedron with one missing cap, Si12is a complete icosahedron, Si13is a surface-capped icosahedron, and Si14is a 4-4-4 layer structure with two caps. The characteristic feature of these clusters is that they are all surface.

Date: 1996
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DOI: 10.1142/S0218625X96000620

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