Export citation

Export citation

Choose format for download:

Download Citation

    Multistate polarization enabled by scale-free ferroelectricity in a Ba2Sb2Se4F2 monolayer

    Yihua Zhu1, Chiming Li1, Minglei Jia1,2, Cuihuan Geng3,*, and Huabing Yin1,†

    • 1Institute for Computational Materials Science, Joint Center for Theoretical Physics, Henan Key Laboratory of High Efficiency Energy Conversion Science and Technology, and Henan International Joint Laboratory of New Energy Materials and Devices, School of Physics and Electronics, Henan University, Kaifeng 475004, China
    • 2School of Electro-Mechanical Engineering, Zhongyuan Institute of Science and Technology, Xuchang 461000, China
    • 3School of Chemical and Environmental Engineering, Anyang Institute of Technology, Anyang 455000, China

    • *Contact author: chgeng@ayit.edu.cn
    • †Contact author: yhb@henu.edu.cn

    Phys. Rev. B 114, 094101 – Published 4 August, 2026

    DOI: https://doi.org/10.1103/drs2-l36w

    Abstract

    Two-dimensional (2D) ferroelectrics (FEs) with scale-free polarization provide a promising platform for next-generation nanoscale information technologies. Using first-principles calculations, we predict a 2D FE Ba2Sb2Se4F2 monolayer and demonstrate a concrete realization of 2D scale-free ferroelectricity, enabled by the weak coupling between the polar Sb–Se chains on the two surfaces of the monolayer. The unconventional polarization behavior in Ba2Sb2Se4F2 monolayer originates from two Sb–Se polarization chains that are effectively decoupled in both electronic structure and lattice dynamics. This decoupling enables independent dipole switching, such that the macroscopic polarization arises purely from the vectorial superposition of local molecular dipoles, giving rise to a well-defined scale-free FE response. The energy landscape contains multiple FE, antiferroelectric (AFE), and metastable intermediate states connected by low-barrier switching pathways. As a result, the monolayer supports eight reversible polarization states, offering a versatile platform for multilevel applications. Our findings expand the family of scale-free FEs and highlight monolayer Ba2Sb2Se4F2 as a promising candidate for multifunctional FE devices.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    Supplemental Material (Subscription Required)

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation