Raman spectroscopy and lattice dynamical calculations of SC sub(2)O sub(3) single crystals

Single crystals of Sc sub(2) O sub(3) 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 4A sub(g) + 4E sub(g) and 11 out of 14 F sub(g) 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.