Effects of N-doping concentration on the electronic structure and optical properties of N-doped β-Ga2O3

The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most stable structure for the smallest formation energy.After N-doping,the charge density dist...

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Bibliographic Details
Published in:中国物理B：英文版 2012-06, Vol.21 (6), p.431-436
Main Author: 张丽英 闫金良 张易军 李厅
Format: Article
Language:English
Subjects:
Ga2O3
光学性质
受主杂质
掺杂浓度
氧化镓
电子结构
电荷密度分布
第一原理方法
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Summary:The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/21/6/067102