Citation
Bl. Gu et al., ELECTRONIC-STRUCTURE OF SMALL ICOSAHEDRAL SILICON CLUSTERS, Journal of physics. Condensed matter, 5(30), 1993, pp. 5255-5260
Citations number
39
Categorie Soggetti
Physics, Condensed Matter
Journal title
ISSN journal
09538984
Volume
5
Issue
30
Year of publication
1993
Pages
5255 - 5260
Database
ISI
SICI code
0953-8984(1993)5:30<5255:EOSISC>2.0.ZU;2-Y
Abstract
The electronic structure of small icosahedral (I(h)) silicon clusters
has been studied using the discrete variational method within the loca
l density functional theory. The I(h) Si13 cluster is not a closed-she
ll structure, in contrast to the predictions of empirical calculations
. The Si-13(2+) cluster is found to be stable, with an exceptionally l
arge LUMO-HOMO gap.