Origin of photoluminescence in SrTiO 3: a combined experimental and theoretical study

A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO 3 perovskite thin films synthesized through a soft chemical processing. Only the amorphous samples present photoluminescence at room temperature. From the theoretical side, first...

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Published inJournal of solid state chemistry Vol. 177; no. 11; pp. 3879 - 3885
Main Authors Orhan, Emmanuelle, Pontes, Fenelon M., Pinheiro, Carlos D., Boschi, Tania M., Leite, Edson R., Pizani, Paulo S., Beltrán, Armando, Andrés, Juan, Varela, José A., Longo, Elson
Format Journal Article
LanguageEnglish
Published Elsevier Inc 01.11.2004
Subjects
DFT
Electronic structure
Interplay theory experiment
Periodic calculation
Perovskite
Photoluminescence
SrTiO 3
Thin films
Thin films
SrTiO 3
Periodic calculation
Perovskite
Electronic structure
DFT
Interplay theory experiment
Photoluminescence
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Abstract A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO 3 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. Polaron-induced photoluminescence. [Display omitted]
AbstractList A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO 3 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. Polaron-induced photoluminescence. [Display omitted]
Author Orhan, Emmanuelle
Pinheiro, Carlos D.
Pizani, Paulo S.
Andrés, Juan
Boschi, Tania M.
Beltrán, Armando
Varela, José A.
Longo, Elson
Leite, Edson R.
Pontes, Fenelon M.
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  givenname: Fenelon M.
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Issue 11
Keywords Thin films
SrTiO 3
Periodic calculation
Perovskite
Electronic structure
DFT
Interplay theory experiment
Photoluminescence
Language English
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Snippet A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO 3 perovskite thin films synthesized...
SourceID elsevier
SourceType Publisher
StartPage 3879
SubjectTerms DFT
Electronic structure
Interplay theory experiment
Periodic calculation
Perovskite
Photoluminescence
SrTiO 3
Thin films
Title Origin of photoluminescence in SrTiO 3: a combined experimental and theoretical study
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