Electronic structure, Curie temperature, and magnetic transport of a two-dimensional multiferroic MnSe2/In2Se3 heterostructure

The coupling of ferromagnetic and ferroelectric materials has sparked great interest in the field of spintronics due to nonvolatile electrical magnetic control. In this work, we propose two-dimensional multiferroic MnSe₂/In₂Se₃ van der Waals (vdW) heterostructure to investigate the magnetoelectric coupling. The electronic structure, magnetic anisotropy, magnetic phase transition, and transport properties were investigated by employing the first-principles calculations in combination with the nonequilibrium Green's function method. The results reveal that polarization reversal not only can effectively tune the Schottky-to-Ohmic contact but also reorients the magnetic easy axis. In addition, Curie temperature (Tc) was predicted based on the Heisenberg model and Monte Carlo simulations, and the competition between interfacial charge injection and lattice mismatch determines the Tc of MnSe₂/In₂Se₃ heterostructure. Furthermore, we constructed the vdW MnSe₂/In₂Se₃-based magnetic-tunnel-junction and ferroelectric-tunnel-junction nanodevice, which exhibits high tunneling magnetoresistance of up to 1.805×10³% and a spin-filter efficiency of up to 98.5%. Our findings demonstrate the significant potentials of multiferroic MnSe₂/In₂Se₃ vdW heterostructures in designing a next-generation spintronic and nonvolatile memory device.