Magnetoelectric coupling effects on the band alignments of multiferroic In 2 Se 3 -CrI 3 trilayer heterostructures.

Due to unique magnetoelectric coupling effects, two-dimensional (2D) multiferroic van der Waals heterostructures (vdWHs) are promising for next-generation information processing and storage devices. Here, we design theoretically multiferroic In 2 Se 3 /CrI 3 trilayer vdWHs with different stacking patterns. For the CrI 3 /In 2 Se 3 /CrI 3 trilayer vdWHs, whether ferroelectric upward or downward polarization, type-I and type-II band alignments are formed for spin-up and spin-down channels. However, for the CrI 3 /In 2 Se 3 /In 2 Se 3 trilayer vdWHs, downward polarization induces the type-III band alignment, which is typical for spin-tunnel transistors. Moreover, nonvolatile ferroelectric polarization and stacking patterns can induce the conversion between a unipolar semiconductor and a bipolar (unipolar) half-metal. These results provide a possible route to realize nanoscale multifunctional spintronic devices based on 2D multiferroic systems.