Engineering an atomic-level crystal lattice and electronic band structure for an extraordinarily high average thermoelectric figure of merit in n-type PbSe

Abstract

Multiscale defect structures driven by interstitial Cu, off-centered Pb and Se atoms and scarce anion vacancies in the new CuxPb(Se0.8Te0.2)0.95 give a record-high average ZT among all polycrystalline n-type thermoelectric materials due to high PF.