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Dirac topology, anomalous Hall response, and giant magnetoresistance in the carrier-compensated altermagnetic semimetal NiS

Shovan Gayen, Sk. Soyeb Ali, and S. K. Panda*

  • *Contact author: swarup.panda@bennett.edu.in

Phys. Rev. B 114, L051111 – Published 28 July, 2026

DOI: https://doi.org/10.1103/43p9-mtdw

Abstract

We combine first-principles density-functional theory, Berry-curvature analysis, semiclassical Boltzmann transport, and atomistic spin dynamics to establish hexagonal NiS as a compensated 3d altermagnetic semimetal in which topology, magnetism, and lattice dynamics are intrinsically intertwined. The rotational coset symmetry of the NiAs lattice produces the momentum-dependent spin splitting characteristic of altermagnetism. With spin-orbit coupling, gapped Dirac-like crossings generate intense Berry-curvature hot spots and nearly compensated electron-hole pockets. This leads to a large and anisotropic intrinsic spin Hall conductivity comparable to that of several 4d/5d metals, a symmetry-allowed anomalous Hall response despite zero net magnetization, and nonsaturating magnetoresistance exceeding 103%. On the magnetic side, first-principles determination of the exchange tensor reveals dominant long-range superexchange and sizable anisotropic interactions, quantitatively reproducing the experimental Néel temperature. Our results identify NiS as a model 3d platform in which carrier compensation, altermagnetic symmetry, Berry-curvature–driven transport, and lattice-sensitive magnetism coexist within a single symmetry framework, offering a design principle for multifunctional quantum responses in correlated transition-metal compounds.

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