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 a
rrangement 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 st
able than the distorted fullerene cages. Their electronic states suggest th
at they present different electric properties. (C) 2001 Elsevier Science B.
V. All rights reserved.