Upward deviation from the Wiedemann-Franz law and phonon-dominated thermal transport in the topological semimetal
Phys. Rev. B 114, 204302 – Published 9 October, 2026
DOI: https://doi.org/10.1103/c1h3-z72r
Abstract
Transition-metal dipnictides ( or Ta and , 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 , which hosts nodal lines in the absence of spin-orbit coupling. In contrast to common metals, phonons are found to dominate heat transport in , 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 () exceeding the Sommerfeld value () 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 from , 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.