First-principles calculation on p-type conduction of (Sb,N) codoping in ZnO |
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| Authors: | Tingting Guo Guobo Dong Qiang Chen Xungang Diao Fangyuan Gao |
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| Affiliation: | 1. Solar Film Laboratory, School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, China;2. Key Laboratory of Micro–nano Measurement-Manipulation and Physics (Ministry of Education), School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, China |
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| Abstract: | Based on first-principles calculations, (Sb, N) codoped ZnO are investigated. We find that SbZn–4NO have lower formation energy and can form p-type conduction with smaller hole effective mass. In comparation to monodoping of Sb, SbZn–4NO complex can form better p-type conductivity than SbZn–2VZn, which may be strongly compensated by SbZn defect and result in a decrease of p-type conduction. So we inferred that (Sb, N) codoping in ZnO under O-poor condition should be a realizable candidate of p-type conduction. |
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| Keywords: | A. Electronic materials C. Ab initio calculations D. Crystal structure D. Electrical properties |
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