期刊
JOURNAL OF ALLOYS AND COMPOUNDS
卷 854, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2020.157247
关键词
Density functional theory; p-type; beta-Ga2O3; Co-doping; Acceptor level
资金
- National Key Research and Development Program of China [2018YFB2202900]
- National Natural Science Foundation of China [61804111]
- China Postdoctoral Science Foundation [2018M643578]
- Natural Science Basic Research Plan in Shaanxi Province of China [2020JQ-310]
- Fundamental Research Funds for the Central Universities
- Initiative Postdocs Supporting Program [BX20180234]
Fabricating p-type beta-Ga2O3 with shallow acceptor levels is crucial for devices based on beta-Ga2O3. The proposed (electron-poor metal, N) co-doping method effectively reduces acceptor levels and hinders the formation of vacancies, thereby limiting the formation of p-type beta-Ga2O3.
Fabricating p-type beta-Ga2O3 with shallow acceptor levels is vital to the application of beta-Ga2O3 based devices. Herein, we propose a potential approach, (electron-poor metal, N) co-doping, to effectively decrease the acceptor levels. The (electron-poor metal, N) co-doping is easier to be realized compared to the pure N doping for beta-Ga2O3. Moreover, partial co-doping further shifts up the Ga-O bonding orbitals and down the dopant-O anti-bonding orbitals and the unoccupied p orbitals of N and O ions, thus the acceptor levels can be significantly decreased when the pure metal doping is replaced by the co-doping method. The acceptor levels of (Mg, N) and (Zn, N) co-doped beta-Ga2O3 are as low as 0.16, and 0.01 eV, respectively. More importantly, (metal dopant with p orbitals, N) co-doping hinders the formation of 0vacancy which limits the formation of p-type beta-Ga2O3. These results suggest that (metal, N) co-doping might be a potential way to achieve an effective p-type beta-Ga2O3. (C) 2020 Elsevier B.V. All rights reserved.
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