mp-13676/TlPO4/anharm

Space group: Cmcm (63)
Link: Materials Project
Download: mp-13676.tar.gz

Harmonic properties

../../_images/fig_bandos_pr14928.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19293.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo14928.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all6406.png — (a) Grüneisen parameters

../../_images/fig_gruneisen6406.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc214545.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times24747.png — (a) Computation time