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Weyl metal prediction and anomalous Hall effect in hexagonal alloy
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 with the -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 . Experimentally, polycrystalline type shows a substantial enhancement in AHC from 162 at 350 K to 303 at 10 K with the intrinsic component of 281.5 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 -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 as a promising candidate for exploring Berry-phase-driven transport in magnetic topological systems with multiple atomic occupations.