Through the full potential linearized augmented plane wave method, the possibility of defect-induced magnetism in wurtzite GaN was explored. The N vacancy defect structure had no sign of a magnetic state. Nonetheless, very interestingly it was found that the GaN with a Ga vacancy defect could show induced local magnetic moment in N atoms. The four N atoms in the tetrahedron sites neighboring the Ga vacancy have magnetic moments of 0.23 and 0.29µB depending on their positions. The spin-polarized N atoms have a metallic state. It was observed that the px,y state mainly contributed to the spin polarization of N atoms in the base layer, while the pz state was important for the other N atoms. In addition, the theoretically calculated X-ray absorption spectroscopy and X-ray magnetic circular dichroism of the K edge were presented.

Local Magnetic Moment Induced by Ga Vacancy Defect in GaN. J.Hong: Journal of Applied Physics, 2008, 103[6], 063907