ELECTRONIC AND STRUCTURAL-PROPERTIES OF CUBIC BN AND BP

被引：110
|
作者：
RODRIGUEZHERNANDEZ, P
GONZALEZDIAZ, M
MUNOZ, A
机构：
[1] Departamento de Física Fundamental y Experimental, Facultad de Física, Universidad de La Laguna, E-38204 La Laguna, Tenerife
来源：
PHYSICAL REVIEW B | 1995年 / 51卷 / 20期
关键词：
D O I：
10.1103/PhysRevB.51.14705
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The present work employs the total-energy pseudopotential technique within the local density approximation to determine the electronic structure and the full set of elastic constants of cubic BN which have not been directly established experimentally. We obtain C11=8.44, C12=1.9, and C44=4.83 Mbar and we find that a cutoff of 160 Ry is needed to have converged results. We also present a study of the electronic band structure of BP and c-BN. © 1995 The American Physical Society.
引用
收藏
页码：14705 / 14708
页数：4
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