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- W2474889163 abstract "The electronic properties and optical activities of C-doped cubic SrTiO3 in perovskitestructure are studied by first-principles calculation. The calculated formation energiesshow that the substitutional C impurity is preferentially occupied at the Ti site.For C@O, the C impurity introduces spin-polarized gap states, and the associatedelectron excitations among the valence band, the conduction band and the gap statesproduce various visible-light absorption thresholds. For C@Ti, some C gap statesof s-character appear near the bottom of the conduction band, which result in thelowered optical transition energy and thus the visible light absorption as observed inthe experiment. Copyright 2012 Author(s). This article is distributed under a CreativeCommons Attribution 3.0 Unported License." @default.
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- W2474889163 date "2012-01-01" @default.
- W2474889163 modified "2023-09-26" @default.
- W2474889163 title "The electronic and optical properties of carbon-doped SrTiO3: Density" @default.
- W2474889163 hasPublicationYear "2012" @default.
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