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    Nonvolatile control of half-metallicity in A-type antiferromagnetic bilayer NiBr2

    Shasha Li*, Chang Liu, Jingxin Xue, Ping Liu, Feng Li, and Yong Pu†

    • *Contact author: shashali@njupt.edu.cn
    • †Contact author: puyong@njupt.edu.cn

    Phys. Rev. B 114, 065426 – Published 27 July, 2026

    DOI: https://doi.org/10.1103/pb7x-kcwz

    Abstract

    The electronic and magnetic properties of two-dimensional NiBr2 bilayer are systematically investigated using first-principles calculations. We find that the metastable antialigned stacking NiBr2 bilayer exhibits sliding ferroelectricity, where reversible out-of-plane polarization is enabled by interlayer sliding. In contrast, the ground-state aligned AB-stacked bilayer is an A-type antiferromagnetic (AFM) semiconductor. Upon applying a vertical electric field, this AFM semiconductor can be converted into a half-metal with 100% spin polarization. This transition is driven by the field-induced potential gradient, which triggers opposite energy shifts in the spin-resolved bands of the two layers. Furthermore, the conducting spin channel can be effectively switched by reversing the electric field direction. To achieve nonvolatile control, we propose a van der Waals heterostructure by integrating the NiBr2 bilayer with a ferroelectric Ga2S3 bilayer. Our results demonstrate that half-metallicity with 100% spin-down polarization is realized when the Ga2S3 polarization is upward (P↑), while the system reverts to a semiconducting state upon polarization reversal (P↓). Based on this polarization-dependent phase transition, a nonvolatile ferroelectric memory device is proposed, offering a promising platform for next-generation AFM spintronics.

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