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

    Liemao Cao1, Xiaohui Deng1, Guanghui Zhou2,3, Shi-Jun Liang4, Chuong V. Nguyen5, L. K. Ang6, and Yee Sin Ang6,*

    • 1College of Physics and Electronic Engineering, Hengyang Normal University, Hengyang 421002, China
    • 2Department of Physics, Key Laboratory for Low-Dimensional Structures and Quantum Manipulation (Ministry of Education), Hunan Normal University, Changsha 410081, China
    • 3Deparment of Physics, College of Sciences, Shaoyang University, Shaoyang 422001, China
    • 4National Laboratory of Solid State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China
    • 5Department of Materials Science and Engineering, Le Quy Don Technical University, Ha Noi 100000, Vietnam
    • 6Science, Mathematics and Technology, Singapore University of Technology and Design, 8 Somapah Road, Singapore 487372

    • *yeesin_ang@sutd.edu.sg

    Phys. Rev. B 105, 165302 – Published 7 April, 2022

    DOI: https://doi.org/10.1103/PhysRevB.105.165302

    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-electric-controlled 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.

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