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Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion
Abstract
We calculate absolute formation energies of native defects in GaAs. The formation energy and hence the equilibrium concentration of the defects depends strongly on the atomic chemical potentials of As and Ga as well as the electron chemical potential. For example, the Ga vacancy concentration changes by more than ten orders of magnitude as the chemical potentials of As and Ga vary over the thermodynamically allowed range. This result indicates that the rate of self-diffusion depends strongly on the surface-annealing conditions.
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Citations
Cited by
Lany, S., & Zunger, A. (2008) · Physical Review B · doi:10.1103/physrevb.78.235104 · Cited by 1,257
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Dalpian, G. M., & Chelikowsky, J. R. (2006) · Physical Review Letters · doi:10.1103/physrevlett.96.226802 · Cited by 678
Barouh, C., Schuler, T., Fu, C.-C., & Nastar, M. (2014) · Physical Review B · doi:10.1103/physrevb.90.054112 · Cited by 108
First-principles study of oxygen-deficientLaNiO3structures
Malashevich, A., & Ismail-Beigi, S. (2015) · Physical Review B · doi:10.1103/physrevb.92.144102 · Cited by 52
Metadata
- Authors
- Zhang, S., & Northrup, J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1991-10
- Volume
- 67
- Issue
- 17
- Pages
- 2339-2342
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W1990393409
- Cited by
- 1,791
- References
- 0
- FWCI
- 7.31
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion. https://app.cochat.ai/papers/10.1103/physrevlett.67.2339
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- Zhang, S., & Northrup, J. (1991). Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion. Physical Review Letters. https://doi.org/10.1103/physrevlett.67.2339
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