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Bonding and energetics in small clusters of gallium and arsenic

✍ Scribed by Joseph J. BelBruno

Publisher
John Wiley and Sons
Year
2003
Tongue
English
Weight
125 KB
Volume
14
Category
Article
ISSN
1042-7163

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✦ Synopsis

Abstract

Density functional theory is used to study the electronic, geometric, and bonding properties of small Ga~n~, As~m~, and Ga~n~As~m~ clusters with up to eight atoms. New ground state structures for many of these clusters are reported. Electronic states, stabilities, and charges are also reported and discussed in terms of the bonding in the clusters. © 2003 Wiley Periodicals, Inc. Heteroatom Chem 14:189–196, 2003; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.10127

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