Phonon transport in 1T and under the dominance of anharmonicity and electron-phonon coupling
Phys. Rev. Materials 10, 074003 – Published 15 July, 2026
DOI: https://doi.org/10.1103/cyx1-s9zk
Abstract
Recently, has emerged as a representative metallic transition-metal dichalcogenide (TMD), owing to its tunable electronic transport, high current-carrying capability, and experimental accessibility. However, its phonon transport behavior remains unclear. Here, we employ first-principles calculations to investigate the lattice thermal conductivity () of both 1T and 1H phases for . Our results show that in 1T phase, four-phonon (4ph) processes reduce by up to 58.2%, lowering from 3.79/4.69 to 1.70/1.96 W along the armchair/zigzag directions. Electron-phonon interaction (EPI) leads to an additional maximum 29.5% suppression, reducing to 0.58 W at a carrier concentration of 1 × in -type 1T-. In contrast, the 1H phase exhibits a more moderate decrease, with reduced from 3.61 to 2.44 W by 4ph scattering. The most distinct EPI effect in 1H- occurs in the intrinsic state, further reducing to 1.57 W . The more pronounced suppression in in 1T- originates from the larger phonon band gap and higher electronic density of states compared with 1H-. Our results suggest viable routes to tune phonon transport in TMDs via phase control and carrier engineering.