Create 2025_10_31_Argyrodites

Author: JaGeo

_news/2025_10_31_Argyrodites

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+title: New preprint predicting and understanding thermal conductivities of sulfur-based argyrodites
+date: 2025-10-31 16:11:00-0400
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+New preprint predicting and understanding thermal conductivities of sulfur-based argyrodites
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+We studied Ag₈TS₆ (T = Si, Ge, Sn) argyrodites using two modeling approaches—a Grüneisen-based phonon lifetime model and machine-learned interatomic potentials—to predict lattice thermal conductivity. Both matched experimental data well across temperatures. The low thermal conductivity stems from weakly bonded Ag⁺ ions because of occupied antibonding states in the Ag-S COHPs and additional Ag-Ag bonds, which lead to strong anharmonicity. Interestingly, thermal and ionic conductivities don’t influence each other—meaning they can be tuned independently.
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+Find the preprint here:
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+[https://arxiv.org/abs/2510.23133](https://arxiv.org/abs/2510.23133)