Room-temperature photoluminescence of BaTiO 3: Joint experimental and theoretical study

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dc.contributor.authorOrhan, E. [UNESP]
dc.contributor.authorVarela, J. A. [UNESP]
dc.contributor.authorZenatti, A.
dc.contributor.authorGurgel, M. F.C.
dc.contributor.authorPontes, F. M.
dc.contributor.authorLeite, E. R.
dc.contributor.authorLongo, E.
dc.contributor.authorPizani, P. S.
dc.contributor.authorBeltràn, A.
dc.contributor.authorAndrès, J.
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversitat Jaume I
dc.date.accessioned2022-04-29T08:47:21Z
dc.date.available2022-04-29T08:47:21Z
dc.date.issued2005-02-01
dc.description.abstractStrong photoluminescent emission has been measured at room temperature for noncrystalline BaTiO 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-c) and asymmetric (BT-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. ©2005 The American Physical Society.en
dc.description.affiliationInstituto de Química Universidade Estadual Paulista, 14801-907 Araraquara, SP
dc.description.affiliationInterunidades-USP-Depto. de Quimica Universidade Federal de Sao Carlos, 13565-905 São Carlos, SP
dc.description.affiliationDepartamento de Química Universidade Federal de Sao Carlos, 13565-905 São Carlos, SP
dc.description.affiliationDepartamento de Física Universidade Federal de Sao Carlos, 13565-905 São Carlos, SP
dc.description.affiliationDept. de Ciencies Experimentals Universitat Jaume I, P.O. Box 6029 AP, 12080 Castelló
dc.description.affiliationUnespInstituto de Química Universidade Estadual Paulista, 14801-907 Araraquara, SP
dc.identifierhttp://dx.doi.org/10.1103/PhysRevB.71.085113
dc.identifier.citationPhysical Review B - Condensed Matter and Materials Physics, v. 71, n. 8, 2005.
dc.identifier.doi10.1103/PhysRevB.71.085113
dc.identifier.issn1098-0121
dc.identifier.issn1550-235X
dc.identifier.scopus2-s2.0-20144388542
dc.identifier.urihttp://hdl.handle.net/11449/231760
dc.language.isoeng
dc.relation.ispartofPhysical Review B - Condensed Matter and Materials Physics
dc.sourceScopus
dc.titleRoom-temperature photoluminescence of BaTiO 3: Joint experimental and theoretical studyen
dc.typeArtigo

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