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    Valley-dependent electron-phonon scattering in thermoelectric semimetal Ta2PdSe6

    Masayuki Ochi1,2, Hitoshi Mori3, and Akitoshi Nakano4

    Phys. Rev. B 113, 245112 – Published 4 June, 2026

    DOI: https://doi.org/10.1103/ln4p-846x

    Abstract

    Quasi-one-dimensional transition-metal chalcogenide Ta2PdSe6 is a promising thermoelectric semimetal due to the strong electron-hole asymmetry in the carrier lifetime. However, the microscopic origin of such a strong asymmetry remains unclear. In this study, we theoretically investigate electron-phonon scattering in Ta2PdSe6. There is a soft phonon mode mainly consisting of atomic displacements in PdSe4 chains. This soft mode is strongly coupled with the highest valence band at the Γ point, which lies slightly below the Fermi energy, and causes strong electron-phonon scattering. The bottom of the electron pocket energetically overlapped with that band also suffers from strong intervalley scattering, by which the imaginary part of the electron self-energy exhibits a sharp change near the Fermi level. On the other hand, the imaginary part of the self-energy for carriers in the hole pocket shows a moderate energy dependence. Thus, we find that electron-phonon scattering is strongly valley-dependent. Our finding will help us to understand the distinctive transport properties observed in Ta2PdSe6.

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