mp-19380/CrHgO4/anharm

Space group: Cmcm (63)
Link: Materials Project
Download: mp-19380.tar.gz

Equation of state

../../_images/fig_bm6855.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13732.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18103.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo13732.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all5791.png — (a) Grüneisen parameters

../../_images/fig_gruneisen5791.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc213360.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times23033.png — (a) Computation time