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    Room-temperature ferromagnetism and doping-controllable spin transport in hydrogenated CrS2 monolayer

    Shasha Li*, Chang Liu, Xiangyan Bo, Ping Liu, Feng Li†, and Yong Pu‡

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

    Phys. Rev. B 112, 094458 – Published 29 September, 2025

    DOI: https://doi.org/10.1103/slw3-nmn4

    Abstract

    The modulation of the magnetic and electronic properties of 1T−CrS2 monolayer through hydrogenation is systematically investigated from first principles. The hydrogenated CrS2 monolayer exhibits both dynamical and thermal stabilities at room temperature. The magnetic ground state of CrS2 monolayer transforms from a 120∘ noncollinear antiferromagnetic state to a ferromagnetic state upon hydrogenation, accompanied by the transition from metal to semiconductor. These transitions can be attributed to the induced tensile strain and charge redistribution resulting from the adsorption of hydrogen. When hydrogen is adsorbed on both sides of CrS2, the estimated ferromagnetic transition temperature of CrS2−2H monolayer is 310 K, and it can be further enhanced to 430 K under a compressive strain of –4%. Moreover, by performing 0.05 hole or 0.05 electron doping in CrS2−2H monolayer, 100% spin polarization at the Fermi energy in either the spin-down or spin-up channel can be effectively achieved, indicating that a double-gate-controlled field-effect spin filter based on CrS2−2H monolayer can be designed for potential application in spintronic devices.

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