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The Origin of P-Type Conductivity in P-Doped ZnO
- The Origin of P-Type Conductivity in P-Doped ZnO
- 이우진; Kang, Joon Goo; 장기주
- DGIST Authors
- Kang, Joon Goo
- Issue Date
- Journal of the Korean Physical Society, 50(3), 602-607
- Article Type
- Article; Proceedings Paper
- ZnO; P-type doping; Electronic structure
- Based on first-principles theoretical calculations, we investigate the electronic structure of various defects in P-doped ZnO. We find that a P-O impurity occupying an O site is a deep acceptor while a P-Zn atom at a Zn site is the dominant donor, causing a compenEation of acceptors. Under O-rich growth conditions, Zn vacancies (V-Zn) are the main source of p-type conduction. Since V-Zn is mobile and strongly interacts with abundant P-O and P-Zn defects, resulting complexes, such as P-Zn-2V(Zn) and P-O-V-Zn, which behave as acceptors, are likely to be formed under non-equilibrium growth conditions, and are responsible for the p-type conduction. We also investigate the effect of the strong Coulomb repulsion for the Zn d electrons on the electronic properties of various defects.
- Related Researcher
Kang, Joon Goo
Computational Materials Theory Group
Computational Materials Science ＆ Materials Design; Nanomaterials for Energy Applications; Theoretical Condensed Matter Physics
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- Department of Emerging Materials ScienceComputational Materials Theory Group1. Journal Articles
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