mp-1020715/Sr6Y2Al4O15/harm

Harmonic properties

../../_images/fig_bandos_pr130.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos163.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo130.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2129.png

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

Summary

../../_images/fig_times227.png

(a) Computation time