Two-dimensional 1T′ α -VXY (X = S, Se, Te; Y = Cl, Br, I): A multifunctional vanadium chalcohalide family with room-temperature ferromagnetism and sliding ferroelectricity

Two-dimensional (2D) ferromagnetic materials with Curie temperature (Tc) above room temperature have great potential ranging from spintronics to information processing and storage. Here, we computationally design a series of 1T′α-VXY (X = S, Se, Te; Y = Cl, Br, I) monolayers with the X and Y atoms arranged alternately in the 2D plane. VXY monolayers are ferromagnetic semiconductors with Tc much higher than room temperature. Furthermore, the symmetry breaking of VXY bilayers leads to sliding ferroelectricity with large reversible out-of-plane electric polarization and moderate interlayer sliding barriers. We further show that half-metal-to-semiconductor nonvolatile field-effect switching can be achieved in multiferroic van der Waals heterostructures composed of VXY and In2S3 ferroelectric substrates due to the synergistic effect between the polarization field-induced band edge shifting and the selective charge transfer at the interface. These findings reveal a promising role of 2D Janus 1T′α-VXY in spintronics, ferroelectric, and multiferroic device applications.