Raman and infrared spectra of brookite (TiO2): Experiment and theory

The zone-center phonons and the frequency-dependent dielectric function of the brookite phase of TiO2 are studied experimentally by means of polarized Raman and infrared spectroscopy. The Raman- and infrared-active modes are unambiguously identified by symmetry. The mode frequencies are in good agreement with those predicted by the density function calculations of lattice dynamics. (C) 2012 Elsevier B.V. All rights reserved.