Control of magnetic transition, metal-semiconductor transition, and magnetic anisotropy in noncentrosymmetric monolayer Cr${}_2$Ge${}_2$Se${}_3$Te${}_3$

Abstract

Recent advances in two-dimensional materials have greatly expanded the family of ferromagnetic materials. The well-known 2D ferromagnets, such as CrI${}_3$, Cr${}_2$Ge${}_2$Te${}_6$, and Fe${}_3$GeTe${}_2$ monolayers, are characterized by centrosymmetric crystal structures. In contrast, ferromagnetic ordering in 2D noncentrosymmetric materials remains an underexplored area. Here we report a Janus ferromagnet, Cr${}_2$Ge${}_2$Se${}_3$Te${}_3$ with inversion symmetry breaking, through first-principles calculations. This monolayer can undergo a ferromagnetic-antiferromagnetic transformation and a metal-semiconductor transition under different strains. Additionally, the strength of magnetocrystalline anisotropy energy (MAE) can be modulated by electric field or strain. In particular, the magnetization easy axis can be altered from in-plane to out-of-plane under strain. We find that Te${}_3$ atoms play a key role in determining the MAE, where contributions are primarily from $p_z/p_y$ and $p_x/p_y$ orbitals. This study of Janus ferromagnetic materials has provided a promising platform for the research on the control of magnetism by strain or electric field.

11 pages, 5 figures in main text and 5 figures in supplementary

References in corpus (4)

• Voltage-Controllable Colossal Magnetocrystalline Anisotropy in Single Layer Transition Metal Dichalcogenides
• Switching intrinsic magnetic skyrmions with controllable magnetic anisotropy in van der Waals multiferroic heterostructures
• Tuning magnetic anisotropy in Fe${}_5$GeTe${}_2$ monolayer through doping and strain
• Manipulation of magnetic anisotropy of 2D magnetized graphene by ferroelectric In${}_2$Se${}_3$