Generalized tight-binding molecular dynamics scheme for heteroatomic systems: Application to SimCn clusters
Author:
- 8 May 2001
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 114 (18) , 7731-7735
Abstract
Generalized tight-binding molecular dynamics scheme is extended to treat heteroatomic interactions in covalent clusters. The simplicity of the method derives from the minimum number of adjustable parameters needed. Application to small and intermediate size clusters including SiC heterofullerenes show good agreement with experiment.
Keywords
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