mp-14495/Li6ZnO4/anharm

Space group: P4_2/nmc (137)
Link: Materials Project
Download: mp-14495.tar.gz

Harmonic properties

../../_images/fig_bandos_pr14821.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo14821.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all6352.png — (a) Grüneisen parameters

../../_images/fig_gruneisen6352.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc214439.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_kappa11947.png — (a) Temperature-dependent lattice thermal conductivity

../../_images/fig_times24600.png — (b) Computation time