EFFECTS OF MOLECULAR-ORIENTATION ON THE ELECTRONIC-STRUCTURE OF FCC C-60

被引：29

作者：

GU, BL ^{[1
]}

MARUYAMA, Y ^{[1
]}

YU, JZ ^{[1
]}

OHNO, K ^{[1
]}

KAWAZOE, Y ^{[1
]}

机构：

[1] TSING HUA UNIV,DEPT PHYS,BEIJING,PEOPLES R CHINA

来源：

PHYSICAL REVIEW B | 1994年 / 49卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.49.16202

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have investigated the effects of C60 molecular orientation on the electronic structure of fcc C60 solids by performing a band-structure calculation with self-consistent MiXed-basis all-electron and full-potential approach within the local-density approximation. The degeneracies at special k points, the dispersion, and the widths of bands and the location of the valence-band maximum and the conduction-band minimum have been found to be sensitive to the orientation of the fullerenes in fcc lattices.

引用

页码：16202 / 16206

页数：5

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