Multiferroic van der Waals heterostructure FeCl2/Sc2CO2: Nonvolatile electrically switchable electronic and spintronic properties

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.

Automated summary

This study investigates the electronic and transport properties of multiferroic van der Waals heterostructures composed of FeCl2 and Sc2CO2. The results show that the heterostructure can be switched from a semiconductor to a half-metal by modulating the ferroelectric polarization states. The findings demonstrate the potential of these heterostructures for compact information processing, data storage, and spintronics devices.