Atomic and electronic properties of N–N split interstitials in GaN nanowires were investigated using first-principles calculations. The formation energy calculations showed that the N–N interstitial favours substitution of an N atom at the surface of the nanowires. The interstitial induced localized states into the band gap of GaN nanowires.

First Principles Study of N–N Split Interstitial in GaN Nanowires. Z.Wang, J.Li: Physics Letters A, 2010, 374[44], 4543-7