ELECTRONIC BAND CALCULATIONS FOR ZINCBLENDE BN WITH NONLOCAL DENSITY FUNCTIONALS

被引：12

作者：

KIKUCHI, K ^{[1
]}

UDA, T ^{[1
]}

SAKUMA, A ^{[1
]}

HIRAO, M ^{[1
]}

MURAYAMA, Y ^{[1
]}

机构：

[1] HITACHI LTD, ADV RES LAB, HATOYAMA, SAITAMA 35003, JAPAN

来源：

SOLID STATE COMMUNICATIONS | 1992年 / 81卷 / 08期

关键词：

D O I：

10.1016/0038-1098(92)90614-F

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We have examined the ground-state and bands properties of zinc-blende BN using a pseudopotential approach with the nonlocal exchange potential proposed by Perdew and Wang (PW). We find that the PW potential improves the cohesive energy and the band gap compared with local density (LD) approximation.

引用

页码：653 / 657

页数：5

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