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    Phonon-limited carrier transport in the Weyl semimetal TaAs

    Zhe Liu1,*, Shashi B. Mishra1,*, Jae-Mo Lihm2, Samuel Poncé2,3, and Elena R. Margine1,†

    • 1Department of Physics, Applied Physics and Astronomy, Binghamton University-SUNY, Binghamton, New York 13902, USA
    • 2European Theoretical Spectroscopy Facility and Institute of Condensed Matter and Nanosciences (IMCN), Université catholique de Louvain, Chemin des Étoiles 8, B-1348 Louvain-la-Neuve, Belgium
    • 3WEL Research Institute, Avenue Pasteur 6, 1300 Wavre, Belgium

    • *These authors contributed equally to this work.
    • †Contact author: rmargine@binghamton.edu

    Phys. Rev. B 112, 104311 – Published 10 September, 2025

    DOI: https://doi.org/10.1103/x8zl-w5x3

    Abstract

    Topological Weyl semimetals represent a novel class of quantum materials that exhibit remarkable properties arising from their unique electronic structure. In this work, we employ state-of-the-art ab initio methods to investigate the role of the electron-phonon interactions on the charge transport properties of TaAs. Our calculations of the temperature-dependent electrical conductivity with the iterative Boltzmann transport equation show excellent agreement with experimental measurements above 100 K. Extending the analysis to doped systems, we demonstrate that even small shifts in the Fermi level can lead to substantial changes in conductivity, driven by the complex topology of the Fermi surface. In particular, modifications in Fermi surface nesting emerge as a key factor influencing scattering processes and carrier lifetimes. These findings offer critical insights into the microscopic mechanisms that govern transport in TaAs and highlight the sensitivity of Weyl semimetals to doping and carrier dynamics.

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    See Also

    First-principles calculations of transport coefficients in the Weyl semimetal TaAs

    Guillaume E. Allemand, Matteo Giantomassi, and Matthieu J. Verstraete
    Phys. Rev. B 112, 125122 (2025)

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