We study the local magnetic anisotropy due to Nd ions located around surfaces of Nd2Fe14B within the crystal field theory based on first-principles calculations. The Nd ions on the (001) surface exhibit A2020> 0, which is consistent with the bulk c-axis uniaxial anisotropy. The physical origin of these conflicting local anisotropies can be understood from the 6p and 5d valence charge distributions realized in the Nd2Fe14B structure.
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Tsuchiura et al. (2014) studied this question.
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