Fig. 3: Phonon dispersion and power spectra from simulations.
From: Highly selective phonon diffusive scattering in superionic layered AgCrSe2
a Schematic of high-symmetric points (red) in first Brillouin zone of primitive cell of AgCrSe2. b The phonon dispersions of AgCrSe2 calculated using 3 × 3 × 1 (red) and 4 × 4 × 1 (blue) supercells. c The phonon power spectra calculated at different temperatures from AIMD simulations. Density of states at 0 K was calculated from density functional theory (DFT) using finite difference method.
