ANALYSIS OF OCCUPIED AND EMPTY ELECTRONIC STATES OF C60

被引：144

作者：

MARTINS, JL

TROULLIER, N

WEAVER, JH

机构：

[1] Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 180卷 / 05期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(91)85149-Q

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We calculated the electronic structure of solid C60 using a first principles pseudopotential local-density method. We present an analysis of the theoretical results and compare them to experimental photoemission and inverse photoemission spectra of solid C60. The agreement between theory and experiment is excellent. We give a simple interpretation of the electronic states of C60 based on its quasi-spherical shape.

引用

页码：457 / 460

页数：4

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