期刊
JOURNAL OF APPLIED PHYSICS
卷 122, 期 19, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.4999790
关键词
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资金
- Army Research Office [W911NF-16-1-0538]
- DOE Office of Science [DE-AC02-05CH11231]
- Center for Scientific Computing at the CNSI
- MRL (an NSF MRSEC) [DMR-1720256]
- NSF [CNS-0960316]
Using hybrid density functional theory, we investigate the properties of native point defects and hydrogen and oxygen impurities in ZnGeN2, a wide-band-gap semiconductor that is promising for applications in electronic and optoelectronic devices. We find that cation antisites have the lowest formation energies amongst all of the native point defects for a wide range of chemical potential conditions. However, native point defects cannot act as sources of doping. Unintentional n-type conductivity in ZnGeN2 must be attributed to impurities: substitutional oxygen on a nitrogen site and interstitial hydrogen act as donors. Published by AIP Publishing.
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