Magnetic states at the Oxygen surfaces of ZnO and Co-doped ZnO

Details Magnetic states at the Oxygen surfaces of ZnO and Co-doped ZnO Magnetic states at the Oxygen surfaces of ZnO and Co-doped ZnO

2008-04-24

arxiv.org/abs/0804.3937v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevLett.101.067206

First principles calculations of the O surfaces of Co-ZnO show that substitutional Co ions develop large magnetic moments which long-range coupling depends on their mutual distance. The local spin polarization induced at the O atoms is three times larger at the surface than in the bulk, and the surface stability is considerably reinforced by Co. Moreover, a robust ferromagnetic state is predicted at the Oxygen (0001) surface even in the absence of magnetic atoms. The occurrence of surface magnetic moments correlates with the number of {\it p}-holes in the valence band of the oxide, and the distribution of the magnetic charge is, even in the absence of spin-orbit interaction, highly anisotropic.

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