Journal
PHYSICA B-CONDENSED MATTER
Volume 407, Issue 17, Pages 3539-3542Publisher
ELSEVIER
DOI: 10.1016/j.physb.2012.05.019
Keywords
First-principles; ZnO; Impurities in semiconductors; Electronic structure
Categories
Funding
- National Natural Science Foundation of China [61176043]
- Fund for Strategic and Emerging Industries of Guangdong Province [2010A081002005]
- Ministry of Education [2010 B090400192]
- Cooperation Project in Industry, University and Institution of Guangdong Province
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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. (C) 2012 Elsevier B.V. All rights reserved.
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