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By using the tight-binding molecular dynamics (TBMD) method, the structures and energies of the medium-sized silicon clusters (Si11—Si32) have been simulated, and the radial distribution function and bond-angle distribution for different size of clusters have been described in this paper. The structural transform from prolate to near-spherical configurations has been observed at the cluster size n=27 in silicon clusters.
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Keywords:
- silicon clusters /
- tight-binding molecular dynamics /
- simulation annealing /
- stable structure
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