mp-761676/Li2Co3SbO8/anharm

Space group: R-3m (166)
Link: Materials Project
Download: mp-761676.tar.gz

Harmonic properties

../../_images/fig_bandos_pr2953.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo2953.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all1435.png — (a) Grüneisen parameters

../../_images/fig_gruneisen1435.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

3-phonon (LASSO) — q-mesh: 13x13x13, supercell: 1x1x1

../../_images/fig_kappa2770.png — (a) Temperature-dependent lattice thermal conductivity

../../_images/fig_kappa_vs_grain_size1451.png — (b) Peierls lattice thermal conductivity w.r.t grain size

Phonon lifetime and scattering rates

../../_images/fig_lifetime1425.png — (a) Phonon lifetime due to phonon-phonon scattering

../../_images/fig_scat_rates1424.png — (b) Phonon scattering rates

Cumulative and spectral thermal conductivity

../../_images/fig_cumu_frequency1425.png — (a) Spectral and cumulative thermal conductivity w.r.t frequency

../../_images/fig_cumu_mfp1425.png — (b) Spectral and cumulative thermal conductivity w.r.t MFP

Force constants

../../_images/fig_fc22773.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_kappa2771.png — (a) Temperature-dependent lattice thermal conductivity

../../_images/fig_times5002.png — (b) Computation time