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    Half-metallicity in antiferromagnetic MI3 bilayers

    Hua-Ying Liu1,*, Xiu-Cai Jiang1,*, Xiao-Fang Ouyang2, and Yu-Zhong Zhang1,†

    • 1Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, School of Physics Science and Engineering, Tongji University, Shanghai 200092, People's Republic of China
    • 2School of Physics and Electrical Information, Shangqiu Normal University, Henan 476000, People's Republic of China

    • *These authors contributed equally to this paper.
    • †Contact author: yzzhang@tongji.edu.cn

    Phys. Rev. B 112, 024427 – Published 18 July, 2025

    DOI: https://doi.org/10.1103/5z4v-x6xn

    Abstract

    Two-dimensional (2D) antiferromagnets have attracted considerable interest due to their potential applications in spintronic devices, yet manipulating their spin polarization remains difficult. In this study, we utilized density functional theory calculations to predict that various 2D transition metal triiodide (MI3) bilayers can be half-metals. We reveal that A-type antiferromagnetic ground states are crucial for half-metallicity when the bilayers are subjected to an external out-of-plane electric field with carrier doping, while additional conditions, such as appropriate filling or suitable competition between crystal field splitting and on-site Coulomb repulsion, have to be fulfilled if without. Our prediction enables the generation of a fully spin-polarized current driven by field effects, opening up new avenues for the use of 2D antiferromagnets in electric-field-controlled spintronics and potentially overcoming significant challenges in the field.

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