期刊
APPLIED PHYSICS LETTERS
卷 114, 期 3, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.5063581
关键词
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资金
- Army Research Office [W911NF-16-1-0538]
- U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) [DE-SC0010689]
- National Science Foundation [ACI1548562]
- Department of Defense High Performance Computing Modernization Program at the Army Research Office/Office of Naval Research [ARONC4175]
- Center for Scientific Computing from the CNSI
- Center for Scientific Computing from the MRL: an NSF MRSEC [DMR-1720256]
- NSF [CNS-1725797]
ZnGeN2 has been proposed as an attractive semiconductor for a number of applications, but doping is largely unexplored. We examine the behavior of Li, Cu, Al, Ga, In, and C as candidate acceptors using hybrid density functional theory. Cu, In, and C give rise to deep acceptor levels, but Li, Al, or Ga could potentially lead to p-type conductivity. Al is particularly attractive since it has an ionization energy of 0.24 eV, comparable to Mg in GaN. However, self-compensation due to wrong-site incorporation is a serious issue. We demonstrate that co-doping with hydrogen can be used to overcome this problem. Published under license by AIP Publishing.
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