Distorted icosahedral cage structure of Si60 clusters
Abstract
Using full-potential linear-muffin-tin-orbital molecular-dynamics method, we have performed calculations on the structure and the binding energy of cluster Si60. It is found that the stable structure for Si60 cluster is a distorted truncated icosahedron, with Th 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 Ih symmetry and two C-C bond lengths in C60.
- Publication:
-
Physical Review B
- Pub Date:
- January 2000
- DOI:
- 10.1103/PhysRevB.61.1685
- Bibcode:
- 2000PhRvB..61.1685L
- Keywords:
-
- 68.35.Bs;
- 31.10.+z;
- 71.10.-w;
- Structure of clean surfaces;
- Theory of electronic structure electronic transitions and chemical binding;
- Theories and models of many-electron systems