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- ItemUnveiling the phonon scattering mechanisms in half-Heusler thermoelectric compounds(Cambridge : RSC Publ., 2020) He, Ran; Zhu, Taishan; Wang, Yumei; Wolff, Ulrike; Jaud, Jean-Christophe; Sotnikov, Andrei; Potapov, Pavel; Wolf, Daniel; Ying, Pingjun; Wood, Max; Liu, Zhenhui; Feng, Le; Perez Rodriguez, Nicolas; Snyder, G. Jeffrey; Grossman, Jeffrey C.; Nielsch, Kornelius; Schierning, GabiHalf-Heusler (HH) compounds are among the most promising thermoelectric (TE) materials for large-scale applications due to their superior properties such as high power factor, excellent mechanical and thermal reliability, and non-toxicity. Their only drawback is the remaining-high lattice thermal conductivity. Various mechanisms were reported with claimed effectiveness to enhance the phonon scattering of HH compounds including grain-boundary scattering, phase separation, and electron–phonon interaction. In this work, however, we show that point-defect scattering has been the dominant mechanism for phonon scattering other than the intrinsic phonon–phonon interaction for ZrCoSb and possibly many other HH compounds. Induced by the charge-compensation effect, the formation of Co/4d Frenkel point defects is responsible for the drastic reduction of lattice thermal conductivity in ZrCoSb1−xSnx. Our work systematically depicts the phonon scattering profile of HH compounds and illuminates subsequent material optimizations.