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    Intrinsic orbital Hall effect and tunable-sign orbital Nernst effect in monolayer MoSi2P4

    Chen Chen1, Yuqing Tong1, Xiaoyang He1, Yiming Li1, Jianping Yang1, Shilei Ji1,2,*, and Xing'ao Li1,2,3,4,†

    • *Contact author: jishilei@njupt.edu.cn
    • †Contact author: lxahbmy@126.com

    Phys. Rev. B 114, 105402 – Published 6 August, 2026

    DOI: https://doi.org/10.1103/gxrc-pzmr

    Abstract

    The two-dimensional MA2Z4 material family has emerged as a research frontier in condensed matter physics and materials science due to its excellent stability and tunable electronic properties. While recent investigations have focused predominantly on their valley- and spin-related physical characteristics, exploration of their orbital Hall effect remains relatively insufficient. In this work, we systematically investigate the band structure and spin/orbital transport properties of monolayer MoSi2P4 through first-principles calculations and effective k·p model analysis. The results show that MoSi2P4 exhibits an intrinsic orbital Hall effect. It demonstrates a pronounced orbital Hall conductivity near the Fermi level while maintaining relatively weak spin Hall conductivity. We further find a finite orbital Nernst response. Strain engineering studies on monolayer MoSi2P4 reveal that biaxial strain can induce a transition from a direct to an indirect bandgap. Despite this band structure change, the orbital Hall effect demonstrates remarkable robustness within a certain strain range. More importantly, the total orbital Nernst conductivity exhibits sign-tunable behavior under strain modulation, while the Γ-region contribution is strongly enhanced when tensile strain shifts the valence band maximum to Γ.

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