1ST-PRINCIPLES CALCULATION OF OPTICAL-PROPERTIES OF C60 IN THE FCC LATTICE

被引：190

作者：

CHING, WY ^{[1
]}

HUANG, MZ ^{[1
]}

XU, YN ^{[1
]}

HARTER, WG ^{[1
]}

CHAN, FT ^{[1
]}

机构：

[1] UNIV ARKANSAS,DEPT PHYS,FAYETTEVILLE,AR 72701

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 67卷 / 15期

关键词：

D O I：

10.1103/PhysRevLett.67.2045

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The electronic and optical properties of C60 in the fcc lattice have been studied by a first-principles method. It is shown that C60 has a low dielectric constant and an optical spectrum rich in structures; this is drastically different from diamond and graphite. The spectrum shows five disconnected absorption bands in the 1.4 to 7.0 eV region with sharp structures in each band that can be attributed to critical-point transitions. This is a manifestation of the localized molecular structure coupled with long-range crystalline order.

引用

页码：2045 / 2048

页数：4

共 22 条

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