mp-25301/TiSi2O6/anharm

Space group: C2/c (15)
Link: Materials Project
Download: mp-25301.tar.gz

Harmonic properties

../../_images/fig_bandos_pr12211.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16352.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo12211.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all5100.png — (a) Grüneisen parameters

../../_images/fig_gruneisen5100.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc211910.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times20709.png — (a) Computation time