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    Role of vacancies in spin fluctuations of Fe3GaTe2 via local probes and modeling

    Qifan Zhang1, Xiaoming Ma2,3,*, Bo Zhang4,5, Yiwen Dong1, Helin Mei1, Anmin Zhang1, Dangwei Guo1, Ruixin Guo6, Shu Guo7,6 et al.

    Chang Liu3, Fashen Li1, and Zhiwei Li1,†

    • *Contact author: maxiaoming@sztu.edu.cn
    • †Contact author: zweili@lzu.edu.cn

    Phys. Rev. B 113, 024431 – Published 26 January, 2026

    DOI: https://doi.org/10.1103/dq53-kpxp

    Abstract

    The Fe3GaTe2 compound was investigated using dynamic magnetic measurements, microscopic Fe57 Mössbauer spectroscopy, complemented by density functional theory (DFT) and Monte Carlo simulations. A reliable fitting scheme was developed for its Mössbauer spectra, yielding a complete set of hyperfine parameters from 5 K to above the Curie temperature. The opposite signs of the quadrupole splitting for the FeI and FeII sites indicate that the interactions at the FeI site are predominantly out-of-plane, in contrast to the primarily in-plane interactions at the FeII site. Furthermore, the temperature dependence of the hyperfine field shows that the magnetism of Fe3GaTe2 aligns more closely with the three-dimensional Heisenberg model. The Mössbauer spectra also reveal that intrinsic defects enhance spin fluctuations, as evidenced by the presence of a persistent paramagnetic component down to 5 K and significantly broadened linewidths. To understand the origin of these defects, we performed systematic DFT and Monte Carlo simulations. Our theoretical results demonstrate that such defects suppress the ferromagnetic transition temperature and suggest that the observed spin fluctuations are likely linked to FeII vacancies and/or FeII-Ga antisite defects.

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