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    Physical properties and first-principles calculations of an altermagnet candidate Cs1−δV2Te2O

    Chang-Chao Liu1,*, Jing Li1,*, Ji-Yong Liu2, Jia-Yi Lu1, Hua-Xun Li1, Yi Liu3, and Guang-Han Cao1,4,5,†

    • *These authors contributed equally to this work.
    • †Contact author: ghcao@zju.edu.cn

    Phys. Rev. B 112, 224439 – Published 24 December, 2025

    DOI: https://doi.org/10.1103/vch1-4khc

    Abstract

    We report the crystal growth, structure, physical properties, and first-principles calculations of a vanadium-based oxytelluride Cs1−δV2Te2O. The material possesses two-dimensional V2O square nets sandwiched by tellurium layers, with local crystallographic symmetry satisfying the spin symmetry for a d-wave altermagnet. An antiferromagnetic transition at 293 K is unambiguously evidenced from the measurements of magnetic susceptibility and specific heat. In addition, a secondary transition at ∼70K is also observed, possibly associated with a Lifshitz transition. The first-principles calculations indicate robust Néel-type collinear antiferromagnetism in the V2O plane. Consequently, spin splittings show up in momentum space, in relation to the real-space mirror/rotation symmetry. Interestingly, the V-dyz/dxz electrons, which primarily contribute to the quasi-one-dimensional Fermi surface, turns out to be fully orbital and spin polarized, akin to the case of a half metal. Our work lays a solid foundation for the potential applications utilizing altermagnetic properties in vanadium-based oxychalcogenides.

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