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Weyl metal prediction and anomalous Hall effect in hexagonal Fe2MnSn alloy

Xuanhe Fu1, Zezhong Li1, Jiangtao Yu1, Enke Liu2, and Zhuhong Liu1,*

  • *Contact author: zhliu@ustb.edu.cn

Phys. Rev. B 112, 174412 – Published 12 November, 2025

DOI: https://doi.org/10.1103/dvhd-8g75

Abstract

Weyl metals, characterized by topologically protected band crossings, are promising for investigating Berry-curvature-mediated transport and developing spintronic devices. Through first-principles calculations, we predict that hexagonal Fe2MnSn with the D019-II type structure exhibits magnetic Weyl metal behavior. Two symmetry-protected Weyl nodes situated 24.6 meV and 6.5 meV above the Fermi level, whose cooperative Berry curvature generates a large intrinsic anomalous Hall conductivity (AHC) of 881.6 Ω−1 cm−1. Experimentally, polycrystalline D019 type Fe2MnSn shows a substantial enhancement in AHC from 162  Ω−1 cm−1 at 350 K to 303 Ω−1 cm−1 at 10 K with the intrinsic component of 281.5 Ω−1 cm−1 extracted through Tian-Ye-Jin (TYJ) scaling, constituting 92.7% of the total AHC and directly confirming Berry curvature as the dominant mechanism. The discrepancy between theoretical and experimental intrinsic AHC values is attributed to the coexistence of the competing D019-I type phase induced by Mn disorder, which disrupts the ideal Berry curvature configuration. This disorder-mediated phase competition offers a new perspective for designing magnetic topological metals. Our work suggests Fe2MnSn as a promising candidate for exploring Berry-phase-driven transport in magnetic topological systems with multiple atomic occupations.

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