Excitation Spectra of Cubic Perovskite Titanates
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https://doi.org/10.15625/0868-3166/16343Abstract
We calculate excitation spectra of cubic perovskites ATiO3 (A = Ca, Sr, Ba, Pb). The calculations are performed within the time-dependent density functional theory, including local field effects. The theoretical calculations show that the perovskites have a plasmon mode at around 12 eV, which is not observed in experiments.
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Accepted 19-09-2021
Published 15-01-2022