Distorted cage structures of Si-36 cluster

Citation
Bx. Li et al., Distorted cage structures of Si-36 cluster, PHYS LETT A, 288(1), 2001, pp. 41-44
Citations number
24
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physics
Journal title
PHYSICS LETTERS A
ISSN journal
0375-9601 → ACNP
Volume
288
Issue
1
Year of publication
2001
Pages
41 - 44
Database
ISI
SICI code
0375-9601(20010910)288:1<41:DCSOSC>2.0.ZU;2-T
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 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.