Abstract
Multiferroic van der Waals (vdW) heterostrucutres offer an exciting route toward high-performance nanoelectronics and spintronics device technology. Here we investigate the electronic and transport properties of multiferroic vdW heterostructures composed of a ferromagnetic FeCl2 monolayer and a ferroelectric Sc2CO2 monolayer using first-principles density functional theory and quantum transport simulations. We show that FeCl2/Sc2CO2 heterostructure can be reversibly switched from semiconducting to half-metallic behavior by electrically modulating the ferroelectric polarization states of Sc2CO2. Intriguingly, the half-metallic phase exhibits a type-III broken gap-band alignment, which can be beneficial for tunneling field-effect transistor applications. We perform a quantum transport simulation based on a proof-of-concept two-terminal nanodevice to demonstrate all-electriccontrolled valving effects uniquely enabled by the nonvolatile ferroelectric switching of the heterostructure. These findings unravel the potential of FeCl2/Sc2CO2 vdW heterostructures as a building block for designing the next generation of ultimately compact information processing, data storage, and spintronics devices.