Strong Phonon–Phonon Interactions Securing Extraordinary Thermoelectric Ge_1–<i>x</i>Sb_<i>x</i>Te with Zn-Alloying-Induced Band Alignment

Abstract

Te. Ultimately, a superhigh zT of 2.2 is achieved. This study clarifies the impacts of high-concentration substitutional atoms on phonon band structure, phonon-phonon scattering rates, and the convergence of electron valence band edges, which could provide guidelines for developing high-performance thermoelectric materials.