mp-1559/Mg3N2/anharm

Space group: Ia-3 (206)
Link: Materials Project
Download: mp-1559.tar.gz

Harmonic properties

../../_images/fig_bandos_pr191.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo191.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all125.png — (a) Grüneisen parameters

../../_images/fig_gruneisen125.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc2177.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_kappa245.png — (a) Temperature-dependent lattice thermal conductivity

../../_images/fig_times312.png — (b) Computation time