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

被引：193

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

页码：133 / 136

页数：4

共 25 条

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