In assisted realization of p-type C-doped ZnO: A first-principles study |
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| Authors: | G.Y. Yao G.H. FanF. Zhao J.H. MaJ. Chen S.W. ZhengS.M. Zeng L.F HeT. Zhang |
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| Affiliation: | Institute of Opto-Electronic Materials and Technology, South China Normal University, Guangzhou 510631, People’s Republic of China |
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| Abstract: | C mono-doped and C–In co-doped ZnO are investigated by the first-principles calculations. It is found that the C mono-doped ZnO is p-type with hole carriers locating nearby valence band maximum. Furthermore, a shallower C acceptor energy level appears in the band gap after incorporating In into C-doped ZnO system. Meantime, compared with C mono-doped ZnO, C–In co-doped ZnO has a lower formation energy, correspondingly a higher chemical stability, and thus to enhance the incorporation efficiency of C. These results suggest that C–In co-doping method provided an efficient technique for realizing p-type ZnO. |
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| Keywords: | First-principles ZnO Impurities in semiconductors Electronic structure |
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