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    Directional criticality and higher-order flatness: Designing Van Hove singularities in three dimensions

    Hua-Yu Li1, Hengxin Tan2,*, Hao-Yu Zhu1, Hong-Kuan Yuan1, and Min-Quan Kuang1,†

    • 1Chongqing Key Laboratory of Micro & Nano Structure Optoelectronics and School of Physical Science and Technology, Southwest University, Chongqing 400715, People's Republic of China
    • 2Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education), School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China

    • *Contact author: hxtan@sjtu.edu.cn
    • †Contact author: mqkuang@swu.edu.cn

    Phys. Rev. B 114, 245120 – Published 15 October, 2026

    DOI: https://doi.org/10.1103/3b9b-jjkp

    Abstract

    Van Hove singularities (VHSs) play a pivotal role in driving correlated electronic phenomena. Traditional classifications focus only on critical points where the band gradient vanishes in all directions. Here we establish a unified classification of VHSs in three-dimensional systems, characterized by the number of vanishing gradient components and Hessian eigenvalues: ordinary (M), higher-order (T1, T2, T3), noncritical ordinary (N0, N1, N2), and noncritical higher-order (S1, S2) types. Noncritical VHSs exhibit directional quenching: The gradient vanishes in a two-dimensional subspace while remaining finite along the orthogonal direction, yielding finite density-of-states enhancements with distinct energy dependences. Using an s-orbital tight-binding model on the pyrochlore lattice with spin-orbit coupling, we demonstrate that all singularity classes emerge at distinct high-symmetry points through controlled tuning of the hopping ratio. This work establishes directional criticality and higher-order flatness as design principles for tailoring density-of-states enhancements in three-dimensional quantum materials.

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