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Origin of p-type doping difficulty in ZnO: The impurity perspective
Abstract
We investigate the p-type doping difficulty in ZnO by first-principles total-energy calculations. The dopants being considered are group-I elements Li, Na, and K and group-V elements N, P, and As. We find that substitutional group-I elements are shallow acceptors, while substitutional group-V elements such as P and As are deep acceptors. The AX centers that convert acceptors into deep donors are found to be unstable except for P and As. Without compensation by intrinsic defects, the most likely cause for doping difficulty is the formation of interstitials for group-I elements and antisites for group-V elements. Among all the dopants studied here, N is a relatively better candidate for p-type ZnO.
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Cites
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Willander, M., Nur, O., Zhao, Q. X., Yang, L. L., Lorenz, M., Cao, B. Q., Zúñiga Pérez, J., Czekalla, C., Zimmermann, G., Grundmann, M., et al. (2009) · Nanotechnology · doi:10.1088/0957-4484/20/33/332001 · Cited by 631
Overcoming the doping bottleneck in semiconductors
Wei, S.-H. (2004) · Computational Materials Science · doi:10.1016/j.commatsci.2004.02.024 · Cited by 573
Self-citationRational Synthesis of p-Type Zinc Oxide Nanowire Arrays Using Simple Chemical Vapor Deposition
Xiang, B., Wang, P., Zhang, X., Dayeh, S. A., Aplin, D. P. R., Soci, C., Yu, D., & Wang, D. (2007) · Nano Letters · doi:10.1021/nl062410c · Cited by 451
Sources of Electrical Conductivity inSnO2
Singh, A. K., Janotti, A., Scheffler, M., & Van de Walle, C. G. (2008) · Physical Review Letters · doi:10.1103/physrevlett.101.055502 · Cited by 388
Metadata
- Authors
- Park, C. H., Zhang, S. B., & Wei, S.-H.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2002-08-05
- Volume
- 66
- Issue
- 7
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2029593796
- Cited by
- 1,159
- References
- 9
- FWCI
- 17.31
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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