Valley-dependent electron-phonon scattering in thermoelectric semimetal
Phys. Rev. B 113, 245112 – Published 4 June, 2026
DOI: https://doi.org/10.1103/ln4p-846x
Abstract
Quasi-one-dimensional transition-metal chalcogenide 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 . There is a soft phonon mode mainly consisting of atomic displacements in chains. This soft mode is strongly coupled with the highest valence band at the 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 .