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    Carrier-driven bipolar magnetic semiconductor behavior and half-metallicity with large anomalous Hall effect in antiferromagnetic monolayer CuPdBr3

    Jiexue Li1, Xuan Wang1, Jiahui Qian2,3, Xunkai Duan2,3, Chunlan Ma1, Tong Zhou2,*, and Jiayong Zhang1,2,†

    • *Contact author: tzhou@eitech.edu.cn
    • †Contact author: jyzhang@usts.edu.cn

    Phys. Rev. Materials 10, 104002 – Published 5 October, 2026

    DOI: https://doi.org/10.1103/f1dy-6nwp

    Abstract

    Two-dimensional magnetic materials with tunable electronic and magnetic properties show great potential for spintronic applications. Using first-principles calculations, we systematically investigate monolayer CuPdBr3 and identify it as a zigzag antiferromagnetic (AF-Zigzag) semiconductor with an indirect band gap. While the AF-Zigzag ground state remains robust under strain, its magnetic configuration can be effectively tuned through carrier doping. Notably, both electron and hole doping induce a magnetic phase transition from the AF-Zigzag to a ferromagnetic (FM) state, with the stability of the FM state enhanced by increasing doping concentration. The corresponding critical temperature can be increased to about 100 K. Remarkably, antiferromagnetic (AFM) monolayer CuPdBr3, driven by carrier doping, behaves as a bipolar magnetic semiconductor (BMS). In the FM state induced by hole doping, the spin-up channel becomes metallic, giving rise to a ferromagnetic half-metal (FMHM), whereas electron doping results in a FMHM with a metallic spin-down channel. The carrier-doping-induced BMS behavior of AFM monolayer CuPdBr3 suggests its potential application in spin field-effect transistor devices. Furthermore, in carrier-doped monolayer CuPdBr3 with the FM state, spin-orbit coupling opens energy gaps around the spin-polarized non-Dirac band degeneracies at the Γ point, resulting in significant anomalous Hall conductivity. These findings highlight AFM monolayer CuPdBr3 as a promising candidate for the development of two-dimensional antiferromagnet-based spintronic devices and the exploration of novel magnetic phenomena.

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