Local magnetic moment induced by Ga vacancy defect in GaN.

Through the full potential linearized augmented plane wave method, we have explored the possibility of defect-induced magnetism in wurtize GaN. The N vacancy defect structure has no sign of a magnetic state. Nonetheless, very interestingly it has been found that the GaN with a Ga vacancy defect can 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 has been observed that the px,y state mainly contributes to the spin polarization of N atoms in the base layer, while the pz state is 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 have been presented. [ABSTRACT FROM AUTHOR]