CALCULATED QUASI-PARTICLE BAND-GAP OF BETA-C3N4

被引：118
作者：
CORKILL, JL
COHEN, ML
机构：
[1] UNIV CALIF BERKELEY, DEPT PHYS, BERKELEY, CA 94720 USA
[2] LAWRENCE BERKELEY LAB, DIV MAT SCI, BERKELEY, CA 94720 USA
来源：
PHYSICAL REVIEW B | 1993年 / 48卷 / 23期
关键词：
D O I：
10.1103/PhysRevB.48.17622
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The quasiparticle electronic band structure of C3N4 carbon nitride in the beta-Si3N4 structure is calculated using the GW approximation. The indirect band gap is predicted to be 6.4+/-0.5 eV and the minimum direct gap is found to be at GAMMA with a value of 6.75 eV. A plane-wave local-density-approximation band structure is also presented.
引用
收藏
页码：17622 / 17624
页数：3
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