Abstract
Defect-induced local moment formation in GaN and ZnO nanowires is investigated using density functional theory-based first-principles electronic-structure methods. We find that quantum confinement and surface effects, coupled with strong structural relaxations in nanowires, significantly enhance the spin-polarization energy and reduce the defect formation energy. These results are consistent with the fact that unconventional magnetism is often found in nanostructures and thin films.
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