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Two-dimensional (2D) Janus semiconductors with mirror asymmetry can introducenovel properties, such as large spin-orbit coupling (SOC) and normalpiezoelectric polarization, which have attracted a great interest for theirpotential applications. Inspired by the recently fabricated 2D ferromagnetic(FM) semiconductor CrI3, a stable 2D (in x-y plane) antiferromagnetic (AFM)Janus semiconductor Fe2Cl3I3 with normal sublattice magnetization (m//z) isobtained by density functional theory calculations. By applying a tensilestrain, the four magnetic states sequentially occur: AFM with m//z ofsublattice, AFM with m//xy of sublattice, FM with m//xy, and FM with m//z. Suchnovel magnetic phase diagram driven by strain can be well understood by thespin-spin interactions including the third nearest-neighbor hoppings with thesingle-ion anisotropy, in which the SOC of I atoms is found to play anessential role. In addition, the electric polarization of Fe2Cl3I3 preserveswith strain due to the broken inversion symmetry. Our results predict the rareJanus material Fe2Cl3I3 as an example of 2D semiconductors with both spin andcharge polarizations, and reveal the highly sensitive strain-controlledmagnetic states and magnetization direction, which highlights the 2D magneticJanus semiconductor as a new platform to design spintronic materials.

Antiferromagnetic and Electric Polarized States in Two-Dimensional Janus Semiconductor Fe2Cl3I3