Abstract

The optical properties of PbTiO3 such as interband transition strength, electron energy-loss spectroscopy (EELS) and dielectric function have been studied by first principles using the density functional theory. The calculated EEL spectrum yield plasmon energy of 23eV and maximum interband transition strength occurs at 3.8eV. The result also yields a static refractive index of 2.8 for PbTiO3 in paraelectric phase that are in better agreement with the experimental data.

Keywords

• Optical properties
• PbTiO3
• WIEN2k
• FP-LAPW
• DFT
• GGA