Fig. 6: Lattice thermal conductivity and phonon scattering rates calculated using zero-K anharmonic IFCs. | npj Computational Materials

Fig. 6: Lattice thermal conductivity and phonon scattering rates calculated using zero-K anharmonic IFCs.

From: Ineffectiveness of formamidine in suppressing ultralow thermal conductivity in cubic hybrid perovskite FAPbI3

Fig. 6: Lattice thermal conductivity and phonon scattering rates calculated using zero-K anharmonic IFCs.

a Calculated temperature-dependent averaged thermal conductivity: population and coherence contributions, total thermal conductivity, considering 3 ph and/or 4 ph scattering processes using zero-K IFCs. The pink shaded area indicates the particle-like phonon propagation contribution, and the light blue shaded area represents the wave-like phonon tunneling contribution. b Calculated phonon lifetimes considering 3 ph or 3,4 ph scattering rates using zero-K anharmonic IFCs at 300 K. c Calculated averaged spectral and cumulative thermal conductivity from particle-like phonon propagation channel, considering only 3 ph, and both 3 ph and 4 ph scattering processes, using zero-K anharmonic IFCs at 300 K. d Calculated 2D modal coherence conductivity from wave-like phonon tunneling channel, considering both 3 ph and 4 ph processes, using zero-K anharmonic IFCs at 300 K.

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