Excitation spectra of cubic perovskite titanates
Keyword(s):
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.
2009 ◽
Vol 113
(14)
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pp. 4817-4825
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Time-dependent density-functional theory investigation of excitation spectra of open-shell molecules
2000 ◽
Vol 527
(1-3)
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pp. 229-244
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2006 ◽
Vol 124
(20)
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pp. 204321
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2019 ◽
Vol 123
(27)
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pp. 5815-5825
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2005 ◽
Vol 109
(24)
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pp. 12222-12226
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2000 ◽
Vol 113
(20)
◽
pp. 8918-8935
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2019 ◽
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