ELECTRON EXCITATIONS IN SOLID C-60 - ENERGY-GAP, BAND DISPERSIONS, AND EFFECTS OF ORIENTATIONAL DISORDER

被引：194
|
作者：
SHIRLEY, EL [1 ]
LOUIE, SG [1 ]
机构：
[1] LAWRENCE BERKELEY LAB, DIV MAT SCI, BERKELEY, CA 94720 USA
来源：
PHYSICAL REVIEW LETTERS | 1993年 / 71卷 / 01期
关键词：
D O I：
10.1103/PhysRevLett.71.133
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Electron excitation energies and photoemission spectra in undoped, solid C60 are calculated using a quasiparticle approach. The effects of orientational disorder and electron correlations are studied. We find a band gap of 2.15 eV, in good agreement with experiment, and approximately 1 eV widths for the highest-occupied-molecular-orbital (HOMO) and lowest-unoccupied-molecular-orbital (LUMO) bands. Calculated angle-resolved, inverse photoemission spectra for the LUMO bands show very little angular dependence, explaining recent experimental work on epitaxial thin films. The present results suggest that undoped, solid C60 is a standard band insulator.
引用
收藏
页码：133 / 136
页数：4
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