Journal
SEMICONDUCTOR SCIENCE AND TECHNOLOGY
Volume 33, Issue 5, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1361-6641/aaba98
Keywords
acceptor impurities; doping; first-principles calculations; gallium oxide
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Funding
- Office of Naval Research (ONR) Basic Research Program
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With a wide band gap, high critical breakdown voltage and commercially available substrates, Ga2O3 is a promising material for next-generation power electronics. Like most wide-band-gap semiconductors, obtaining better control over its electrical conductivity is critically important, but has proven difficult to achieve. Although efficient p-type doping in Ga2O3 is not expected, since theory and experiment indicate the self-trapping of holes, the full development of this material will require a better understanding of acceptor dopants. Here the properties of group 2, group 5 and group 12 acceptor impurities in beta-Ga2O3 are explored using hybrid density functional calculations. All impurities are found to exhibit acceptor transition levels above 1.3 eV. After examining formation energies as a function of chemical potential, Mg (followed closely by Be) is determined to be the most stable acceptor species.
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