Electronic structures and optical properties of Si-and Sn-doped β-Ga2O3: A GGA+U study

被引：0

作者：

党俊宁 ^{[1
]}

郑树文 ^{[1
]}

陈浪 ^{[1
]}

郑涛 ^{[1
]}

机构：

[1] Institute of Opto-electronic Materials and Technology,South China Normal University

来源：

Chinese Physics B | 2019年 / 28卷 / 01期

关键词：

density functional theory; GGA + U method; Si-doped; β-Ga2O3; Sn-doped; electronic structure; optical property;

D O I：

暂无

中图分类号：

TN304 [材料];

学科分类号：

0805 ; 080501 ; 080502 ; 080903 ;

摘要：

The electronic structures and optical properties of β-GaOand Si-and Sn-doped β-GaOare studied using the GGA + U method based on density functional theory. The calculated bandgap and Ga 3d-state peak of β-GaOare in good agreement with experimental results. Si-and Sn-doped β-GaOtend to form under O-poor conditions, and the formation energy of Si-doped β-GaOis larger than that of Sn-doped β-GaObecause of the large bond length variation between Ga–O and Si–O. Si-and Sn-doped β-GaOhave wider optical gaps than β-GaO, due to the Burstein–Moss effect and the bandgap renormalization effect. Si-doped β-GaOshows better electron conductivity and a higher optical absorption edge than Sn-doped β-GaO, so Si is more suitable as a dopant of n-type β-GaO, which can be applied in deep-UV photoelectric devices.

引用

页码：502 / 510

页数：9