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.
@article{arxiv.2503.21707,
title = {Strain and Interface Effects on Magnetocrystalline Anisotropy of MnN},
author = {Robert A. Lawrence and Matt I. J. Probert},
journal= {arXiv preprint arXiv:2503.21707},
year = {2025}
}