Comparative study of phonon-limited carrier transport in the Weyl semimetal TaAs family
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866917018427457536 |
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| author | Mishra, Shashi B. Liu, Zhe Tiwari, Sabyasachi Giustino, Feliciano Margine, Elena R. |
| author_facet | Mishra, Shashi B. Liu, Zhe Tiwari, Sabyasachi Giustino, Feliciano Margine, Elena R. |
| contents | We present a systematic first-principles study of phonon-limited transport in the TaAs family of Weyl semimetals using the ab initio Boltzmann transport equation. The calculated electrical conductivities show excellent agreement with experimental data for high-quality samples, confirming that transport in these systems is predominantly limited by phonon scattering. Among the four compounds, NbP achieves the highest conductivity, governed primarily by its large Fermi velocities that offset its stronger scattering rates. In contrast, TaAs displays the lowest conductivity, linked to reduced carrier pockets and limited carrier velocities. Additionally, NbP conductivity remains largely unaffected by small hole or electron doping, whereas TaAs exhibits pronounced electron-hole asymmetry. NbAs and TaP show intermediate behavior, reflecting their Fermi surface topologies and scattering phase space. These findings provide microscopic insight into the transport mechanisms of the TaAs family and emphasize the critical role of phonons, doping, and carrier dynamics in shaping their electronic response. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2510_14048 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Comparative study of phonon-limited carrier transport in the Weyl semimetal TaAs family Mishra, Shashi B. Liu, Zhe Tiwari, Sabyasachi Giustino, Feliciano Margine, Elena R. Mesoscale and Nanoscale Physics Materials Science We present a systematic first-principles study of phonon-limited transport in the TaAs family of Weyl semimetals using the ab initio Boltzmann transport equation. The calculated electrical conductivities show excellent agreement with experimental data for high-quality samples, confirming that transport in these systems is predominantly limited by phonon scattering. Among the four compounds, NbP achieves the highest conductivity, governed primarily by its large Fermi velocities that offset its stronger scattering rates. In contrast, TaAs displays the lowest conductivity, linked to reduced carrier pockets and limited carrier velocities. Additionally, NbP conductivity remains largely unaffected by small hole or electron doping, whereas TaAs exhibits pronounced electron-hole asymmetry. NbAs and TaP show intermediate behavior, reflecting their Fermi surface topologies and scattering phase space. These findings provide microscopic insight into the transport mechanisms of the TaAs family and emphasize the critical role of phonons, doping, and carrier dynamics in shaping their electronic response. |
| title | Comparative study of phonon-limited carrier transport in the Weyl semimetal TaAs family |
| topic | Mesoscale and Nanoscale Physics Materials Science |
| url | https://arxiv.org/abs/2510.14048 |