Raman spectroscopy and lattice dynamical calculations of Sc2O3 single crystals

Single crystals of Sc2O3 were grown by a high-temperature solution-growth method. They were studied by x-ray single-crystal diffractometry and micro-Raman spectroscopy. In the polarized Raman spectra collected at room temperature all 4Ag+4Eg and 11 out of 14 Fg Raman allowed lines were observed. The vibrational assignment was made by a comparison of the experimentally observed frequencies with calculated ones determined by density functional theory lattice-dynamical calculations.