Renormalized Phonon Microstructures at High Temperatures from First-Principles Calculations: Methodologies and Applications in Studying Strong Anharmonic Vibrations of Solids

Figure 6

The TDOS spectra of , , at 40 K (dashed) and 400 K (solid). The downconversion and upconversion contributions are presented separately as black and green curves, respectively. The phonon DOS spectra are presented along with the TDOS but take a negative sign and shaded blue to make the view of TDOS and DOS separated.