Fig. 7: The frequency-dependent relaxation time for NaKAs, KIrCs2Cl6, and CuPdSr2. | Communications Materials

Fig. 7: The frequency-dependent relaxation time for NaKAs, KIrCs2Cl6, and CuPdSr2.

From: Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach

Fig. 7: The frequency-dependent relaxation time for NaKAs, KIrCs2Cl6, and CuPdSr2.The alt text for this image may have been generated using AI.

Rows (a, b), (c, d), and (e, f) correspond to the material in the mentioned order, whereas columns (a, c, e) and (b, d, f) are from our ML model prediction and DFT results, respectively. The size of circles represents the magnitude of κP, whereas the color represents the ratio of κC/κtotal, i.e., the off-diagonal contribution to overall thermal transport. The diameter of circles is scaled up equally between predicted and DFT plots for viewing.

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