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Microscopic Origin of the Phenomenological Equilibrium “Doping Limit Rule” inn-Type III-V Semiconductors
Abstract
The highest equilibrium free-carrier doping concentration possible in a given material is limited by the "pinning energy" which shows a remarkable universal alignment in each class of semiconductors. Our first-principles total energy calculations reveal that equilibrium n-type doping is ultimately limited by the spontaneous formation of close-shell acceptor defects: the (3-)-charged cation vacancy in AlN, GaN, InP, and GaAs and the (1-)-charged DX center in AlAs, AlP, and GaP. This explains the alignment of the pinning energies and predicts the maximum equilibrium doping levels in different materials.
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Citations
Cites
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
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Cited by
Band offsets and heterostructures of two-dimensional semiconductors
Kang, J., Tongay, S., Zhou, J., Li, J., & Wu, J. (2013) · Applied Physics Letters · doi:10.1063/1.4774090 · Cited by 1,708
Lany, S., & Zunger, A. (2008) · Physical Review B · doi:10.1103/physrevb.78.235104 · Cited by 1,257
Self-citationOvercoming the doping bottleneck in semiconductors
Wei, S.-H. (2004) · Computational Materials Science · doi:10.1016/j.commatsci.2004.02.024 · Cited by 573
Self-citationElectronic Chemical Potentials of Porous Metal–Organic Frameworks
Butler, K. T., Hendon, C. H., & Walsh, A. (2014) · Journal of the American Chemical Society · doi:10.1021/ja4110073 · Cited by 293
Metadata
- Authors
- Zhang, S. B., Wei, S.-H., & Zunger, A.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2000-02-07
- Volume
- 84
- Issue
- 6
- Pages
- 1232-1235
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2011247194
- Cited by
- 227
- References
- 1
- FWCI
- 4.98
- Type
- journal article
- Language
- en
- Open access
- closed
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- Zhang, S. B., Wei, S.-H., & Zunger, A. (2000). Microscopic Origin of the Phenomenological Equilibrium “Doping Limit Rule” inn-Type III-V Semiconductors. Physical Review Letters. https://doi.org/10.1103/physrevlett.84.1232
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