Ab initio study of magnetic anisotropy in cobalt doped zinc oxide with electron-filling

Bin Shao; Hong Liu; Jian Wu; Min Feng; Xu Zuo

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Ab initio study of magnetic anisotropy in cobalt doped zinc oxide with electron-filling

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arxiv 1211.7287 v2 pith:ZZMSEWL2 submitted 2012-11-30 cond-mat.mtrl-sci

Bin Shao , Min Feng , Hong Liu , Jian Wu , Xu Zuo This is my paper

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keywords electron-fillingmagneticanisotropyeasyelectronsstatealternationaxis

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Based on first-principles calculation, it has been predicted that the magnetic anisotropy energy (MAE) in Co-doped ZnO (Co:ZnO) depends on electron-filling. Results show that the charge neutral Co:ZnO presents a "easy plane" magnetic state. While modifying the total number of electrons, the easy axis rotates from in-plane to out-of-plane. The alternation of the MAE is considered to be the change of the ground state of Co ion, resulting from the relocating of electrons on Co d-orbitals with electron-filling.

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