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Predicting the lattice thermal conductivity of alloyed compounds from the perspective of configurational entropy

Abstract Accurate evaluation of lattice thermal conductivity is usually a tough task from the theoretical side, especially for alloyed systems with fractional stoichiometry. Using the tetradymite family as a prototypical class of examples, we propose a reliable approach for rapid prediction on the l...

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Main Authors: Mengke Li, Guohua Cao, Yufeng Luo, Caiyu Sheng, Huijun Liu
Formato: Artigo
Idioma:Inglês
Publicado: Nature Portfolio 2022-04-01
Series:npj Computational Materials
Acceso en liña:https://doi.org/10.1038/s41524-022-00771-1
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