Electron doping and magnetic moment formation in N- and C-doped MgO

Abstract

The formation of the magnetic moment in C- and N-doped MgO is the result of a delicate interplay between Hund's coupling, hybridization and Jahn-Teller distortion. The balance depends on a number of environmental variables including electron doping. We investigate such a dependence by self-interaction corrected density functional theory and we find that the moment formation is robust with respect to electron doping. In contrast, the local symmetry around the dopant is more fragile and two different geometries can be stabilized. Crucially the magnetic moment is always extremely localized, making any carrier mediated picture of magnetism in d^0 magnets unlikely.

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• Ferromagnetism in Nitrogen-doped MgO
• Large bias-dependent magnetoresistance in all-oxide magnetic tunnel junctions with a ferroelectric barrier
• MgN: a new promising material for spintronic applications
• Magnetic interaction of Co ions near the {10\bar{1}0} ZnO surface
• Is N-doped SrO magnetic? A first-principles view