The effect of switchable electronic polarization states on the electronic properties of two-dimensional multiferroic TMBr/GaSSe (TM = V-Ni) heterostructures.

Multiferroic van der Waals (vdW) heterostructures (HSs) prepared by combining different ferroic materials offer an exciting platform for next-generation nanoelectronic devices. In this work, we investigate the magnetoelectric coupling properties of multiferroic vdW HSs consisting of a magnetic TMBr (TM = V-Ni) monolayer and a ferroelectric GaSSe monolayer using first-principles theory calculations. It is found that the magnetic orderings in the magnetic TMBr layers are robust and the band alignment of these TMBr/GaSSe HSs can be altered by reversing the polarization direction of the ferroelectric layer. Among them, VBr/GaSSe and FeBr/GaSSe HSs can be switched from a type-I to a type-II semiconductor, which allows the generation of spin-polarized and unpolarized photocurrent. Besides, CrBr/GaSSe, CoBr/GaSSe and NiBr/GaSSe exhibit a type-II band alignment in reverse ferroelectric polarization states. Moreover, the magnetic configuration and band alignment of these TMBr/GaSSe HSs can be further modulated by applying an external strain. Our findings suggest the potential of TMBr/GaSSe HSs in 2D multiferroic and spintronic applications.