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• W1654417664 abstract "Strong photoluminescent emission has been measured at room temperature for noncrystalline $mathrm{Ba}mathrm{Ti}{mathrm{O}}_{3}$ (BT) perovskite powders. A joint experimental and theoretical study has been carried out to rationalize this phenomenon. From the experimental side, BT powder samples have been synthesized following a soft chemical processing, their crystal structure has been confirmed by x-ray data and the corresponding photoluminescence (PL) properties have been measured. Only the structurally disordered samples present PL at room temperature. From the theoretical side, first-principles quantum-mechanical techniques, based on density-functional theory at the B3LYP level, have been employed to study the electronic structure of crystalline (BT-$mathrm{c}$) and asymmetric (BT-$mathrm{a}$) models. Theoretical and experimental results are found to be consistent and their confrontation leads to an interpretation of the PL apparition at room temperature in the structurally disordered powders." @default.
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• W1654417664 date "2005-02-15" @default.
• W1654417664 modified "2023-10-15" @default.
• W1654417664 title "Room-temperature photoluminescence of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>Ba</mml:mi><mml:mi>Ti</mml:mi><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>: Joint experimental and theoretical study" @default.
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• W1654417664 doi "https://doi.org/10.1103/physrevb.71.085113" @default.
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