mp-1224839/Ga2HgTe4/harm

Harmonic properties

../../_images/fig_bandos_pr15059.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19419.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214675.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times24926.png

(a) Computation time