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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
ISSN0232-1300
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
DOI10.1002/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
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被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
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
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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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