LAMINAR STRUCTURE OF BOND DISTORTION AND ELECTRONIC STATES IN CHARGEDC-60

Citation
X. Sun et al., LAMINAR STRUCTURE OF BOND DISTORTION AND ELECTRONIC STATES IN CHARGEDC-60, Synthetic metals, 56(2-3), 1993, pp. 2979-2984
Citations number
16
Categorie Soggetti
Physics, Condensed Matter","Metallurgy & Mining
Journal title
ISSN journal
03796779
Volume
56
Issue
2-3
Year of publication
1993
Pages
2979 - 2984
Database
ISI
SICI code
0379-6779(1993)56:2-3<2979:LSOBDA>2.0.ZU;2-A
Abstract
For doped C60, the charge transfer distorts the bond structure of C60 and forms some self-trapping electronic states. The present theory sho ws that the charged C60 possesses following remarkable features: 1). B oth the bond distortion and the self-trapping states have laminar stru cture and are localized in the equatorial area. 2). The symmetry is re duced from Ih of the pristine C60 to D5d of the charged C60. 3). The c arbon atoms in charged C60 are divided into eight layers with an inver sion center, and there appear four groups of carbon atoms. The atoms i n different groups are nonequivalent, then the spectral line in the NM R gets a fine structure consisting of four sub-lines with the strength ratio 1:1:2:2. 4). The charged C60 has two self-trapping electronic s tates, one is 0.06eV above HOMO with odd parity, another is 0.05eV bel ow the LUMO with even parity.