Fig. 2: Structures before and after phase-change and thermal transport properties of GeTe from calculations and experiments. | Nature Communications

Fig. 2: Structures before and after phase-change and thermal transport properties of GeTe from calculations and experiments.

From: Anomalous lattice thermal conductivity increase with temperature in cubic GeTe correlated with strengthening of second-nearest neighbor bonds

Fig. 2

a GeTe undergoes a phase transition from the rhombohedral to cubic crystal structure around 650 K. b Calculated and measured phonon dispersion of GeTe single crystal at 693 K show good agreement. c Calculated and measured phonon lifetimes of GeTe at 693 K. The results follow a rough 1/ω2 trend, shown by the dark blue dashed line. The shaded region highlights the overestimation of lifetimes if only three-phonon is considered. d Spectral thermal conductivity contribution at 693 K indicates that the main contributors are between 1 and 3.5 THz.

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