VEH ELECTRONIC-STRUCTURE OF SI-60

Authors
PIQUERAS MC CRESPO R ORTI E TOMAS F
Citation
Mc. Piqueras et al., VEH ELECTRONIC-STRUCTURE OF SI-60, Synthetic metals, 61(1-2), 1993, pp. 155-158
Citations number
24
Categorie Soggetti
Physics, Condensed Matter","Metallurgy & Mining
Journal title
Synthetic metals → ACNP
ISSN journal
03796779
Volume
61
Issue
1-2
Year of publication
1993
Pages
155 - 158
Database
ISI
SICI code
0379-6779(1993)61:1-2<155:VEOS>2.0.ZU;2-X
Abstract
We present a valence effective Hamiltonian (VEH) theoretical investiga tion on the electronic structure of Si60. The VEH one-electron energy level distribution calculated for Si60 is used to predict the ionizati on potential (7.86 eV), electron affinity (6.62 eV) and HOMO-LUMO ener gy gap (1.24 eV) of Si60. We also report the first allowed electronic transitions of Si60. The results are compared with other theoretical l evels and with those calculated for C60.