Theoretical study of the optical dispersion and anisotropy of the oxygen polarisability of PbTiO3 in the tetragonal phase
Abstract
The optical anisotropy of the tetragonal phase of PbTiO3 is discussed according to the point-dipole approach. In this microscopic model, we have taking into account of the electronic polarization and the lattice deformation, and it is shown that anisotropic electronic polarizabilities are the dominant source of the optical properties of PbTiO3 . This anisotropy is attributed to the Oz oxygen ion and it is due to the Ti-Oz and Pb-Oz overlap in the tetragonal phase.
By analyzing the optical refractive index data of PbTiO3 at 0.589 µm, we have determined the temperature dependence of the oxygen polarizabilities. Based on the dispersion data of the refractive index of PbTiO3 , the dispersion of the oxygen polarizabilities is similarly calculated at room temperature.