Effect of orientation on the band structure of C58BN hetero-fullerenes in fcc solid phase

被引：12

作者：

Esfarjani, K ^{[1
]}

Ohno, K ^{[1
]}

Kawazoe, Y ^{[1
]}

Gu, BL ^{[1
]}

机构：

[1] TSING HUA UNIV,DEPT PHYS,BEIJING 100084,PEOPLES R CHINA

来源：

SOLID STATE COMMUNICATIONS | 1996年 / 97卷 / 06期

关键词：

fullerenes; semiconductors; crystal structure and symmetry; electronic band structure;

D O I：

10.1016/0038-1098(95)00617-6

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using an all-electron mixed-basis approach and within the local density approximation, the electronic structure of C58BN hetero-fullerenes in the solid fee phase has been calculated as a function of their orientation. We study the three cases where the boron-nitrogen pair is oriented along [100], [110] and [111] directions, and discuss the stability and the band structure of three 3 systems.

引用

页码：539 / 542

页数：4

共 6 条

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SOLID STATE PHYSICS - ADVANCES IN RESEARCH AND APPLICATIONS, VOL 48, 1994, 48 :1-108

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