Electronic and magnetic properties modulated by nonvolatile switching in the multiferroic Cr2Cl3S3/Ga2O3 van der Waals heterostructure

Abstract

Two-dimensional multiferroic materials, which exhibit both ferroelectricity and ferromagnetism, have drawn significant interest due to their capability to control electronic and magnetic properties via polarization switching. In this work, we designed a multiferroic van der Waals heterostructure (vdWH) made of 2D ferromagnetic Cr₂Cl₃S₃ and ferroelectric Ga₂O₃, and examined its structural, electronic, and magnetic properties through first-principles calculations. The results demonstrate that by manipulating the polarization state of Ga₂O₃, the Cr₂Cl₃S₃(Cl)/Ga₂O₃ vdWH can reversibly switch between semiconductor and half-metal, whereas the Cr₂Cl₃S₃(S)/Ga₂O₃ vdWH can transition reversibly between semiconductor and metal. These reversible transitions are attributed to the shift in band alignment induced by interlayer charge transfer. Notably, as the spintronic properties of the Cr₂Cl₃S₃(S)/Ga₂O₃ vdWH change, its easy magnetization axis also switches from in-plane to out-of-plane. The switchable electrical control of heterostructures by ferroelectric Ga₂O₃ is nonvolatile. These findings are important for understanding ferroelectric control of spintronics and electromagnetic coupling and provide a potential route for developing multiferroic memory devices.