First-Principles Calculations of Electronic Structure and Optical Properties of Si-Doped and Vacancy beta-Ga2O3 | |
Liu, Jifei1; Gao, Shanshan2; Li, Weixue2,3; Dai, Jianfeng2,3; Suo, Zhongqiang2; Suo, Zhengting2 | |
2022-01 | |
发表期刊 | CRYSTAL RESEARCH AND TECHNOLOGY |
ISSN | 0232-1300 |
卷号 | 57期号:1 |
摘要 | The electronic structure and optical properties of Si-doped beta-Ga2O3 with vacancy are studied using the generalized gradient approximation plus the Hubbard term. The results show that the most easily formed are doping systems, followed by the doped with vacancy systems, and the vacancy systems. The conductivity of beta-Ga2O3 is enhanced significantly after being doped with Si, but its absorptivity decreased. The defect levels generated by the vacancy system can enhance the light absorption capability, especially O vacancy system. The doped with vacancy system may improve the conductivity and absorptivity in the visible range of the beta-Ga2O3. |
关键词 | beta-Ga2O3 effective mass electronic structure generalized gradient approximation Hubbard term optical properties |
DOI | 10.1002/crat.202100126 |
收录类别 | SCIE ; EI |
语种 | 英语 |
WOS研究方向 | Crystallography |
WOS类目 | Crystallography |
WOS记录号 | WOS:000706878200001 |
出版者 | WILEY-V C H VERLAG GMBH |
EI入藏号 | 20214211021948 |
EI主题词 | Electronic structure |
EI分类号 | 549.3 Nonferrous Metals and Alloys excluding Alkali and Alkaline Earth Metals ; 741.1 Light/Optics ; 921 Mathematics |
来源库 | WOS |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | https://ir.lut.edu.cn/handle/2XXMBERH/150062 |
专题 | 理学院 |
通讯作者 | Liu, Jifei; Gao, Shanshan |
作者单位 | 1.Lanzhou Jiaotong Univ, Sch New Energy & Power Engn, Lanzhou 730070, Peoples R China; 2.Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R China; 3.Lanzhou Univ Technol, Sch Sci, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China |
通讯作者单位 | 理学院 |
推荐引用方式 GB/T 7714 | Liu, Jifei,Gao, Shanshan,Li, Weixue,et al. First-Principles Calculations of Electronic Structure and Optical Properties of Si-Doped and Vacancy beta-Ga2O3[J]. CRYSTAL RESEARCH AND TECHNOLOGY,2022,57(1). |
APA | Liu, Jifei,Gao, Shanshan,Li, Weixue,Dai, Jianfeng,Suo, Zhongqiang,&Suo, Zhengting.(2022).First-Principles Calculations of Electronic Structure and Optical Properties of Si-Doped and Vacancy beta-Ga2O3.CRYSTAL RESEARCH AND TECHNOLOGY,57(1). |
MLA | Liu, Jifei,et al."First-Principles Calculations of Electronic Structure and Optical Properties of Si-Doped and Vacancy beta-Ga2O3".CRYSTAL RESEARCH AND TECHNOLOGY 57.1(2022). |
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