The vacancy defect-induced magnetism in wurtize ZnO was explored using the full

potential linearized augmented plane wave method. It was found that the Zn

vacancy defect induced a spin-polarized state in the nearest-neighbour oxygen

atoms, whereas the oxygen vacancy defect had no influence upon the magnetism. It

was found that the lattice distortion was a crucial factor in Zn vacancy-induced

ferromagnetism because the ferromagnetic ground state could not be achieved if

there was no lattice distortion due to the Zn vacancy defect. The magnetic moment

of an oxygen atom in the nearest-neighbour position from the Zn vacancy site

ranged from 0.10 to 0.19μB and the spin-polarized oxygen atoms had a metallic

character in both spin states. These results were different to those found using other

calculations. It was found that the ferromagnetic exchange interaction among

oxygen atoms was mediated by the Zn 3d state.

Ferromagnetism Induced by Zn Vacancy Defect and Lattice Distortion in ZnO.

D.Kim, J.Yang, J.Hong: Journal of Applied Physics, 2009, 106[1], 013908