Structure of Silicon Clusters
chem-ph
2016-08-31 v1 凝聚态物理
化学物理
摘要
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 \Si{11} is an icosahedron with one missing cap, \Si{12} is a complete icosahedron, \Si{13} is a surface capped icosahedron, and \Si{14} is a 4-4-4 layer structure with two caps. The characteristic feature of these clusters is that they are all surface.
引用
@article{arxiv.chem-ph/9502002,
title = {Structure of Silicon Clusters},
author = {Jun Pan and Atul Bahel and Mushti V. Ramakrishna},
journal= {arXiv preprint arXiv:chem-ph/9502002},
year = {2016}
}
备注
Surface Review and Letters (in press), 7 pages + 4 figures. ftp://ramanujan.chem.nyu.edu/pub/ab2.ps