Accelerated discovery of a large family of quaternary chalcogenides with very low lattice thermal conductivity

Abstract The development of efficient thermal energy management devices such as thermoelectrics and barrier coatings often relies on compounds having low lattice thermal conductivity (κ l ). Here, we present the computational discovery of a large family of 628 thermodynamically stable quaternary cha...

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Bibliographic Details
Main Authors: Koushik Pal, Yi Xia, Jiahong Shen, Jiangang He, Yubo Luo, Mercouri G. Kanatzidis, Chris Wolverton
Format: Article
Language:English
Published: Nature Publishing Group 2021-06-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00549-x