Rehybridization-induced defect-level of open-core edge dislocation in GaN

We present a defect-level induced by a new rehybridization of broken-bonded GaN in open-core threading edge dislocations (TED) of heteroepitaxial GaN. The rehybridization was discovered toward sp2-/sp3- from the sp2-/p3- of full-core TED by density functional theory calculation. The filled non-bonding state of the nitrogen’s sp3- bond is located in the middle of the band gap, which corresponds to the source of yellow luminescence.