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Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline $$alpha$$-MgAgSb

$$alpha$$-MgAgSbにおける結晶の乱れに伴う音響フォノン横成分抑制による極端低熱伝導率

Li, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; 池田 一貴*; 大友 季哉*; 古府 麻衣子  ; 中島 健次  ; Chen, J.*; He, L.*; Ren, Y.*; Wang, X.-L.*; Wang, B.-T.*; Ren, Z.*; Zhao, H.*; Wang, F.*

Li, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; Ikeda, Kazutaka*; Otomo, Toshiya*; Kofu, Maiko; Nakajima, Kenji; Chen, J.*; He, L.*; Ren, Y.*; Wang, X.-L.*; Wang, B.-T.*; Ren, Z.*; Zhao, H.*; Wang, F.*

高性能の熱電材料実現には低熱伝導率が必要であり、その機構としてはフォノンの非調和によるもの、あるいは、結晶構造の動的な乱れによるフォノンの散乱によるものがあげられ、どちらも中性子散乱でその現象が明らかにされている。我々は中性子散乱と第一原理計算を組み合わせ、$$alpha$$-MgAgSbにおいて、静的な結晶構造の乱れとフォノンの非調和性が組み合わされて極端に低い熱伝導率が実現されているということを見いだしたので、これを報告する。

In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic and phonon scattering resulting from the dynamic disorder, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phonon-anharmonic-induced ultralow lattice thermal conductivity in $$alpha$$-MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the intrinsic distorted rocksalt sublattice in this compound, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in $$alpha$$-MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.

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パーセンタイル:14.76

分野:Multidisciplinary Sciences

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