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Oxygen vacancies and donor impurities in β-Ga2O3
Abstract
Using hybrid functionals we have investigated the role of oxygen vacancies and various impurities in the electrical and optical properties of the transparent conducting oxide β-Ga2O3. We find that oxygen vacancies are deep donors, and thus cannot explain the unintentional n-type conductivity. Instead, we attribute the conductivity to common background impurities such as silicon and hydrogen. Monatomic hydrogen has low formation energies and acts as a shallow donor in both interstitial and substitutional configurations. We also explore other dopants, where substitutional forms of Si, Ge, Sn, F, and Cl are shown to behave as shallow donors.
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Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
CRC Handbook of Chemistry and Physics
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Cited by
Ultrawide‐Bandgap Semiconductors: Research Opportunities and Challenges
Tsao, J. Y., Chowdhury, S., Hollis, M. A., Jena, D., Johnson, N. M., Jones, K. A., Kaplar, R. J., Rajan, S., Van de Walle, C. G., Bellotti, E., et al. (2018) · Advanced Electronic Materials · doi:10.1002/aelm.201600501 · Cited by 1,602
Self-citationPerspective: Ga2O3 for ultra-high power rectifiers and MOSFETS
Pearton, S. J., Ren, F., Tadjer, M., & Kim, J. (2018) · Journal of Applied Physics · doi:10.1063/1.5062841 · Cited by 659
Metadata
- Authors
- Varley, J. B., Weber, J. R., Janotti, A., & Van de Walle, C. G.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2010-10-04
- Volume
- 97
- Issue
- 14
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W1483264824
- Cited by
- 1,065
- References
- 4
- FWCI
- 5.50
- Type
- journal article
- Language
- en
- Open access
- closed
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- Varley, J. B., Weber, J. R., Janotti, A., & Van de Walle, C. G. (2010). Oxygen vacancies and donor impurities in β-Ga2O3. Applied Physics Letters. https://doi.org/10.1063/1.3499306
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