First principles study of N-N split interstitial in GaN nanowires

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.

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Z. Wang was financially supported by the National Natural Science Foundation of China (10704014) and the Young Scientists Foundation of Sichuan (09ZQ026-029) and UESTC (JX0731). J. Li gratefully acknowledges financial support from the "One-Hundred Talents Plan" of the Chinese Academy of Sciences and National Science Fund for Distinguished Young Scholar.

国内

Z. Wang was financially supported by the National Natural Science Foundation of China (10704014) and the Young Scientists Foundation of Sichuan (09ZQ026-029) and UESTC (JX0731). J. Li gratefully acknowledges financial support from the "One-Hundred Talents Plan" of the Chinese Academy of Sciences and National Science Fund for Distinguished Young Scholar.