Enhanced Band-Crystal Engineering Drives Superior Power Generation in GeTe.

ABSTRACT: Optimizing both electrical and thermal performance in thermoelectric (TE) materials is challenging due to the inherent coupling between carrier and phonon transport. To address this, targeted modulation of band structure and crystal lattice is achieved in the optimized Ge_0.885Zr_0.02Pb_0.08Te_0.985(Cu₂Te)_0.015 sample. Zr/Pb incorporation optimizes the band structure and significantly enhances the Seebeck coefficient, while Pb-substituted Ge sites occupy a more symmetric geometric center, reducing Ge vacancies, increasing crystal symmetry, and facilitating delocalized carrier transport. This leads to optimized carrier-weighted mobility (µ_w) ≈210 cm² V^-1 S^-1 (average power factor ≈30.3

SUBMITTER: Tan X 

PROVIDER: S-EPMC12376500 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature