Tunable sliding ferroelectricity and magnetoelectric coupling in two-dimensional multiferroic MnSe materials

• Published in: npj computational materials Vol. 9; no. 1; pp. 16 - 8
• Main Authors: Liu, Kehan, Ma, Xikui, Xu, Shuoke, Li, Yangyang, Zhao, Mingwen
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 03.02.2023; Nature Publishing Group; Nature Portfolio
• Subjects: 639/301/357/1018; 639/766/119/996; Bilayers; Characterization and Evaluation of Materials; Chemistry and Materials Science; Computational Intelligence; Coupling; Electric fields; Electric polarization; Ferroelectric materials; Ferroelectricity; First principles; Interlayers; Magnetic moments; Magnetism; Materials Science; Mathematical and Computational Engineering; Mathematical and Computational Physics; Mathematical Modeling and Industrial Mathematics; Memory devices; Multiferroic materials; Multilayers; Polarization; Sliding; Theoretical; Transition metal compounds
• ISSN: 2057-3960; 2057-3960
• DOI: 10.1038/s41524-023-00972-2

Sliding ferroelectricity (SFE) found in two-dimensional (2D) van der Waals (vdW) materials, such as BN and transition-metal dichalcogenides bilayers, opens an avenue for 2D ferroelectric materials. Multiferroic coupling in 2D SFE materials brings us an alternative concept for spintronic memory devices. In this study, using first-principles calculations, we demonstrate that MnSe multilayers constructed by the recently-synthesized MnSe monolayer have large sliding-driven reversible out-of-plane electric polarization (~10.6 pC m −1 ) and moderate interlayer sliding barriers superior to the existing 2D SFE materials. Interestingly, the intrinsic electric polarization is accompanied by nonzero net magnetic moments which are also switchable via lateral interlayer sliding. Additionally, both SFE and magnetoelectric coupling can be effectively regulated by external strain and/or hole doping. Our findings suggest the potential of MnSe multilayers in 2D multiferroic and spintronic applications.