First-principles study of structrural and corrected band properties of wurtzite Zn1-xCdxO and Zn1-xMgxO systems

被引：0
|
作者：
王志军 [1 ,2 ,3 ]
李守春 [2 ]
王连元 [2 ]
刘震 [2 ]
机构：
[1] National Laboratory of Superhard Materials,Jilin University
[2] Physics Department,Jilin University
[3] Department of Materials Science and Engineering,Kyoto University
来源：
Chinese Physics B | 2009年 / 18卷 / 07期
关键词：
Zn1-xCdxO and Zn1-xMgxO; first-principles; corrected band structure;
D O I：
暂无
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
A first-principles method based on density functional theory(DFT),a generalized gradient approximation(GGA),and a projector-augmented wave(PAW) are used to study the structual and band properties of wurtzite Zn1-xCdxO and Zn1-xMgxO(0 ≤x≤1) ternary alloys.By taking into account all of the possible structures,the band gaps of Zn1-xCdxO and Zn1-xMgxO alloys are corrected and compared with experimental data.
引用
收藏
页码：2992 / 2997
页数：6
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