Abstract:Bare silicon clusters with non-diamond and diamond-core structures, as well as silicon-hydrogen clusters, were simulated using a recently developed non-conventional tight-binding molecular-dynamics method. In the range of cluster sizes considered (≤ 71 atoms), clusters with a diamond core were found to be energetically unfavorable compared to representative non-diamond clusters from a regular, one-dimensional growth pattern, proposed by the authors. It is shown that the method used here can reproduce the resul… Show more
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