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First principles study of N-N split interstitial in GaN nanowires |
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| Authors: | Zhiguo Wang Jingbo Li |
| Affiliation: | a Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, People's Republic of China b State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, People's Republic of China |
| Abstract: | Atomic and electronic properties of N-N split interstitial in GaN nanowires have been investigated using first principles calculations. The formation energy calculations show that the N-N interstitial favors substituting an N atom at the surface of the nanowires. The interstitial induces localized states in the band gap of GaN nanowires. |
| Keywords: | N-N split interstitials GaN nanowires First principles calculation |
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