Controlling magnetic anisotropy energy (MAE) in two-dimensional (2D) ferromagnetic materials is crucial for designing novel spintronic devices. Using first-principles calculations, we systematically investigate the magnetic properties of monolayer Fe5GeTe2 (F5GT) under two scenarios: (I) Co and Ni doping, and (II) compressive and tensile strains. Our results show that the F5GT monolayer exhibits a weak in-plane MAE, which can be significantly enhanced by Co doping. Additionally, a 1% compressive strain switches the magnetic easy axis from in-plane to out-of-plane, while 4% compressive strain can further enhance the out-of-plane MAE. Spin-orbit coupling (SOC) matrix analysis reveals that the enhancement of in-plane MAE in Co-doped F5GT (Co-F5GT) arises from changes in ⟨px∣Lz∣py⟩ of Te and ⟨dxy∣Lz∣dx2+y2⟩ of Fe(2) and Fe(3). The effect of compressive strain is primarily attributed to a substantial increase in the positive contribution from ⟨dxy∣Lz∣dx2+y2⟩ of Fe(1).
@article{arxiv.2411.05293,
title = {Tuning magnetic anisotropy in Fe$_{5}$GeTe$_{2}$ monolayer through doping and strain},
author = {Xunwu Hu and Dao-Xin Yao and Kun Cao},
journal= {arXiv preprint arXiv:2411.05293},
year = {2024}
}