Effects of Rattling Behavior of K and Cd Atoms along Different Directions in Anisotropic KCdAs on Lattice Thermal Transport and Thermoelectric Properties-Energy & Environmental Materials2024年06期-手机知网

Effects of Rattling Behavior of K and Cd Atoms along Different Directions in Anisotropic KCdAs on Lattice Thermal Transport and Thermoelectric Properties

Department of Physics,Yantai University;State Key Laboratory of Low-Dimensional Quantum Physics,Department of Physics,Tsinghua University;Frontier Science Center for Quantum Information | Yue Wang Yinchang Zhao Jun Ni Zhenhong Dai

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We employ advanced first principles methodology,merging self-consistent phonon theory and the Boltzmann transport equation,to...

机　构:

Department of Physics,Yantai University；State Key Laboratory of Low-Dimensional Quantum Physics,Department of Physics,Tsinghua University；Frontier Science Center for Quantum Information；

领　域:

材料科学；

关键词:

anharmonic lattice dynamics；electron transport characteristics；first principles calculation；lattice thermal transport；octahedron；thermoelectric properties；

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Energy & Environmental Materials

2024年06期

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