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arxiv 2205.00300 v1 pith:AI6JWBHI submitted 2022-04-30 cond-mat.mtrl-sci

Piezoelectric ferromagnetism in two dimensional FeCl₂

classification cond-mat.mtrl-sci
keywords feclmagneticanisotropyeasy-axismonolayerpiezoelectricab-initioanalysis
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We predict that monolayer FeCl$_2$ is a two-dimensional piezoelectric ferromagnet (PFM) with easy-axis magnetism and a Curie temperature of 260 K. Our ab-initio calculations combined with data mining reveal 2H-FeCl$_2$ as the only easy-axis 2D monolayer PFM, and that its magnetic anisotropy increases many-fold with moderate hole doping. We develop an analysis based on magnetic anisotropy energy densities that explain the magnetic and doping-dependent behavior of FeCl$_2$, as well as VSe$_2$ and CrI$_3$, and can enable the design of future 2D magnetically ordered materials.

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