Large easy-plane magnetic anisotropy in square planar coordinate Sr2CoO2X2 (X = Cl, Br)

Journal of Magnetism and Magnetic Materials（2020）

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摘要

•Co ions adopt a high spin state and exhibit a sizable orbital moment of about 0.6 μB.•The strong in-plane nearest-neighbor antiferromagnetic exchange interaction J1 results in the observed G-type magnetic ground state.•Giant easy-plane magnetocrystalline anisotropy energy is predicted.

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关键词

Layered cobalt oxyhalides,Antiferromagnetic materials,Square planar coordination,Magnetic anisotropy energy,Density functional theory

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