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The mechanism of Li, N dual-acceptor co-doped p-type ZnO

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Abstract

The formation of single defects and defect complexes are investigated in Li, N co-doped ZnO by the first-principles plane wave method with projector augmented wave (PAW) pseudo-potential technology. We find that: (i) p-type conductivity could be achieved in single Li doped ZnO under an O-rich condition, since the formation energy of LiZn acceptor is much lower than the interstitial Lii; (ii) the dual-acceptor complex LiZn-NO is unlikely to form, and the good p-type conductivity is mainly attributed to the LiZn acceptor, even in Li, N co-doped ZnO; (iii) the additional introduction of N may help compensate the single Lii donor defects under certain growth conditions, but its role in the p-type conductivity in ZnO remains to be clarified.

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Authors and Affiliations

  1. School of Physics, South China University of Technology, Guangzhou, 514640, P.R. China

    X.-Y. Duan, R.-H. Yao & Y.-J. Zhao

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  1. X.-Y. Duan
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  2. R.-H. Yao
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  3. Y.-J. Zhao
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Corresponding author

Correspondence to R.-H. Yao.

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PACS

71.15.Mb; 73.61.Ga; 71.15.Nc; 71.20.Nr; 71.55.Gs

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Duan, XY., Yao, RH. & Zhao, YJ. The mechanism of Li, N dual-acceptor co-doped p-type ZnO. Appl. Phys. A 91, 467–472 (2008). https://doi.org/10.1007/s00339-008-4432-3

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  • DOI: https://doi.org/10.1007/s00339-008-4432-3

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