Abstract

Using full-potential linear-muffin-tin-orbital molecular-dynamics method, we have performed calculations on the structure and the binding energy of cluster ${\mathrm{Si}}_{60}.$ It is found that the stable structure for ${\mathrm{Si}}_{60}$ cluster is a distorted truncated icosahedron, with ${T}_{h}$ symmetry. Its fullerene cage structure remains, but it looks like a puckered ball. The lower symmetry and four distinct Si-Si bond lengths make the structure different from that with ${I}_{h}$ symmetry and two C-C bond lengths in ${\mathrm{C}}_{60}.$

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