OPTICAL-PROPERTIES OF C-60 VIBRATIONS

被引:16
作者
BERTSCH, GF
SMITH, A
YABANA, K
机构
[1] UNIV WASHINGTON, INST NUCL THEORY, SEATTLE, WA 98915 USA
[2] UNIV WASHINGTON, DEPT CHEM, SEATTLE, WA 98915 USA
[3] NIIGATA UNIV, DEPT PHYS, NIIGATA 95021, JAPAN
来源
PHYSICAL REVIEW B | 1995年 / 52卷 / 11期
关键词
D O I
10.1103/PhysRevB.52.7876
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The tight-binding and local-density approximation (LDA) models of the electronic structure for C-60 are applied to calculate the transition strength of the four infrared-active vibrations. The tight-binding results are of the correct order of magnitude, but not accurate enough to have predictive power. The LDA results give a much better description of the relative and absolute strengths of the four modes.
引用
收藏
页码:7876 / 7878
页数:3
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