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arXiv · 2503.21707

Strain and Interface Effects on Magnetocrystalline Anisotropy of MnN

Robert A. Lawrence·Matt I. J. Probert
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Abstract

Thin film effects on the Magnetocrystalline Anisotropy Energy (MAE) of MnN were studied using density functional theory (DFT). Initially, strain effects on bulk MnN were considered as a proxy for lattice-matching induced strain and a linear relationship between the $c/a$ ratio and the MAE was found. A fundamental explanation for this relationship in terms of the underlying point-group symmetry is given, which we show is applicable to all uniaxial magnetic materials. Strain and charge-transfer effects were then considered for an ultra-thin film. It was found that a Ta seed-layer suppresses the net spin moment on the Mn ions, leading to a reduction of the MAE. Charge transfer is shown to be the cause of this, and hence similar effects may be expected at any magnetic heterostructure interface.

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Robert A. Lawrence, Matt I. J. Probert. 2025-03-27. Strain and Interface Effects on Magnetocrystalline Anisotropy of MnN. https://arxiv.org/abs/2503.21707

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