Fig. 6: Comparison of phonon spectral function and SCP+bubble dispersions. | npj Computational Materials

Fig. 6: Comparison of phonon spectral function and SCP+bubble dispersions.

From: Exploring anharmonic lattice dynamics and dielectric relations in niobate perovskites from first-principles self-consistent phonon calculations

Fig. 6

Phonon spectral function Aq(ω) of a cubic KNbO3 for T = 800 K and b cubic NaNbO3 for T = 1000 K calculated with V = VDFT. SCP dispersions with bubble self-energy correction (SCP+bubble) from the QP approximation are also presented as white solid lines.

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