Investigation of mode assignment on YVO crystal in high temperature region by polarized Raman spectroscopy and first principles calculations.

Polarized Raman spectra for 11 modes in the YVO crystal were measured in the temperature range from room temperature to 473K, and the mode assignment on Raman modes was analyzed using the first-principles calculations. We found that the calculated frequency values are in good agreement with the experimental ones. The large difference of the temperature line broadening between two peaks (380cm and 891cm) of A mode has been reported and it is thought to be due to band gap effect in PDOS.