mp-8603/RbAgO/anharm

Space group: I4/mmm (139)
Link: Materials Project
Download: mp-8603.tar.gz

Harmonic properties

../../_images/fig_bandos_pr1848.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo1848.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all1051.png — (a) Grüneisen parameters

../../_images/fig_gruneisen1051.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc21671.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_kappa2035.png — (a) Temperature-dependent lattice thermal conductivity

../../_images/fig_times2830.png — (b) Computation time