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    Upward deviation from the Wiedemann-Franz law and phonon-dominated thermal transport in the topological semimetal NbP2

    Jie Yang1,2, Luyao Zhong3, and Xiaolong Yang1,2,*

    • *Contact author: yangxl@cqu.edu.cn

    Phys. Rev. B 114, 204302 – Published 9 October, 2026

    DOI: https://doi.org/10.1103/c1h3-z72r

    Abstract

    Transition-metal dipnictides RX2 (R=Nb or Ta and X=P, Sb, or As) represent a key class of topological semimetals that exhibit rich quantum transport phenomena owing to their nontrivial band topology. However, their thermal transport mechanisms remain poorly understood. Here, using first-principles calculations combined with the Boltzmann transport equation, we systematically investigate thermal transport in the topological semimetal NbP2, which hosts nodal lines in the absence of spin-orbit coupling. In contrast to common metals, phonons are found to dominate heat transport in NbP2, which is largely due to exceptionally weak phonon-electron scattering arising from the low electronic density of states near the Fermi level associated with its topological electronic states. More intriguingly, we observe a pronounced upward deviation from the Wiedemann-Franz law, with the Lorenz number (Le) exceeding the Sommerfeld value (L0) by up to 40%. Band-resolved analysis reveals that this deviation originates from nearly perfect electron-hole compensation dictated by the nontrivial band structure, which facilitates strong bipolar diffusive transport. Furthermore, we find that the degree of electron-hole compensation, and consequently the deviation of Le from L0, is highly sensitive to the chemical-potential position. Our work provides important insights into unconventional thermal transport in topological semimetals and underscores the role of band topology in governing the interplay between charge and heat transport.

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