Dielectric and optical properties of cubic perovskites ATiO[formula omitted] (A = Ca, Sr, Ba, Pb).

We study dielectric and optical properties of perovskites ATiO 3 (A = Ca, Sr, Ba, Pb) in the cubic phase. The calculations are performed within the time-dependent density functional theory, including local field effects. The origin of absorption peaks is indicated based on the orbital-projected band structure. The theoretical calculations show that the perovskites have a plasmon mode at around 12 eV, which was not observed in experiments. • The dielectric functions of cubic perovskite titanates: CaTiO 3 , SrTiO 3 , BaTiO 3 , and PbTiO 3. • The physical original of optical absorption peaks. • The plasmon excitation at around 12 eV. [ABSTRACT FROM AUTHOR]