Dielectric and optical properties of cubic perovskites ATiO3 (A = Ca, Sr, Ba, Pb)

We study dielectric and optical properties of perovskites ATiO3 (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.