Origin of photo luminescence in SrTiO3: a combined experimental and theoretical study
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Data
2004-11-01
Autores
Orhan, E.
Pontes, F. M.
Pinheiro, C. D.
Boschi, T. M.
Leite, E. R.
Pizani, P. S.
Beltran, A.
Andres, J.
Varela, José Arana [UNESP]
Longo, Elson [UNESP]
Título da Revista
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Título de Volume
Editor
Elsevier B.V.
Resumo
A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO3 perovskite thin films synthesized through a soft chemical processing. Only the amorphous samples present photoluminescence at room temperature. From the theoretical side, first principles quantum mechanical techniques, based on density functional theory at B3LYP level, have been employed to study the electronic structure of a crystalline (ST-c) and an asymmetric (ST-a) model. Electronic properties are analyzed in the light of the experimental results and their relevance in relation to the PL behavior of ST is discussed. (C) 2004 Elsevier B.V. All rights reserved.
Descrição
Palavras-chave
perovskite, thin films, photoluminescence, DFT, electronic structure, interplay theory experiment, SrTiO3, periodic calculation
Como citar
Journal of Solid State Chemistry. San Diego: Academic Press Inc. Elsevier B.V., v. 177, n. 11, p. 3879-3885, 2004.