English

Tuning magnetic anisotropy in Fe$_{5}$GeTe$_{2}$ monolayer through doping and strain

Materials Science 2024-11-22 v1 Mesoscale and Nanoscale Physics

Abstract

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 Fe5_5GeTe2_2 (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%1\% compressive strain switches the magnetic easy axis from in-plane to out-of-plane, while 4%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 pxLzpy \left\langle {\it p}_{x} \left\vert L_z\right\vert {\it p}_{y} \right\rangle of Te and dxyLzdx2+y2 \left\langle {\it d}_{xy} \left\vert L_z\right\vert {\it d}_{x^2+y^2} \right\rangle of Fe(2) and Fe(3). The effect of compressive strain is primarily attributed to a substantial increase in the positive contribution from dxyLzdx2+y2 \left\langle {\it d}_{xy} \left\vert L_z\right\vert {\it d}_{x^2+y^2} \right\rangle of Fe(1).

Keywords

Cite

@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}
}

Comments

9 pages, 8 figures