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Native Point Defect States in ZnO
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| XU Peng-Shou1,2;SUN Yu-Ming2;SHI Chao-Shu2;XU Fa-Qiang2;PAN Hai-Bin2 |
| 1Structure Research Laboratory, University of Science and Technology of China, Hefei 230026
2National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026
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| Cite this article: |
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XU Peng-Shou, SUN Yu-Ming, SHI Chao-Shu et al 2001 Chin. Phys. Lett. 18 1252-1253 |
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Abstract The native point defect states in ZnO have been calculated by using a full-potential linear Muffin-tin orbital method. The results show that Zn vacancy and O interstitial produce the shallow acceptor levels above the valence band. The O vacancy produces a deep donor level, while Zn interstitial produces a shallow donor level, both below the conduction band. The Zn interstitial is the main factor to induce the native n-type conductivity in ZnO.
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| Keywords:
71.15.Mb
71.20.Nr
71.55.Gs
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Published: 01 September 2001
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| PACS: |
71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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71.20.Nr
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(Semiconductor compounds)
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71.55.Gs
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(II-VI semiconductors)
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