Abstract
Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have performed calculations on the fullerene cage structures and the binding energies of Si 36 cluster. It is found that their atomic arrangement tends towards tetrahedral geometry. The distorted structures are very stable. In addition, we have also investigated a stacked structure by tricapped trigonal prisms (TTP). The stacked structure is slightly more stable than the distorted fullerene cages. Their electronic states suggest that they present different electric properties.
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