Strong violet-blue light photoluminescence emission at room temperature in SrZrO3: Joint experimental and theoretical study

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dc.contributor.authorLongo, V. M.
dc.contributor.authorCavalcante, L. S.
dc.contributor.authorErlo, R.
dc.contributor.authorMastelaro, V. R.
dc.contributor.authorde Figueiredo, A. T.
dc.contributor.authorSambrano, J. R. [UNESP]
dc.contributor.authorde Lazaro, S.
dc.contributor.authorFreitas, A. Z.
dc.contributor.authorGomes, L.
dc.contributor.authorVieira, N. D.
dc.contributor.authorVarela, José Arana [UNESP]
dc.contributor.authorLongo, Elson [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionCidade Univ
dc.date.accessioned2014-05-20T15:32:03Z
dc.date.available2014-05-20T15:32:03Z
dc.date.issued2008-06-01
dc.description.abstractUltrafine ordered and disordered SrZrO3 powders were prepared by the polymeric precursor method. The structural evolution from structural disorder to order was monitored by X-ray diffraction and X-ray absorption near-edge spectroscopy. Complex cluster vacancies [ZrO5 center dot V-O(Z)] and [SrOII center dot V-O(Z)] (where V-O(Z) = V-O(X), V-O(center dot) and V-O(center dot center dot)) were proposed for disordered powders. The intense violet-blue light photoluminescence emission measured at room temperature in the disordered powders was attributed to complex cluster vacancies. High-level quantum mechanical calculations within the density functional theory framework were used to interpret the experimental results. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.en
dc.description.affiliationUNESP, Inst Quim, LIEC, BR-14801970 Araraquara, SP, Brazil
dc.description.affiliationUniversidade Federal de São Carlos (UFSCar), Dept Ciencias & Engn Mat, LIEC, BR-13565905 São Carlos, SP, Brazil
dc.description.affiliationUniversidade Federal de São Carlos (UFSCar), Dept Quim, LIEC, BR-13565905 São Carlos, SP, Brazil
dc.description.affiliationUniv São Paulo, Inst Fis São Carlos, BR-13560970 São Carlos, SP, Brazil
dc.description.affiliationUNESP, DM, Lab Simulacao Mol, BR-17033360 Bauru, SP, Brazil
dc.description.affiliationCidade Univ, IPEN CNEN SP, Ctr Laser Applicat, BR-05508000 São Paulo, Brazil
dc.description.affiliationUnespUNESP, Inst Quim, LIEC, BR-14801970 Araraquara, SP, Brazil
dc.description.affiliationUnespUNESP, DM, Lab Simulacao Mol, BR-17033360 Bauru, SP, Brazil
dc.format.extent2191-2202
dc.identifierhttp://dx.doi.org/10.1016/j.actamat.2007.12.059
dc.identifier.citationActa Materialia. Oxford: Pergamon-Elsevier B.V. Ltd, v. 56, n. 10, p. 2191-2202, 2008.
dc.identifier.doi10.1016/j.actamat.2007.12.059
dc.identifier.issn1359-6454
dc.identifier.urihttp://hdl.handle.net/11449/41042
dc.identifier.wosWOS:000256939800003
dc.language.isoeng
dc.publisherPergamon-Elsevier B.V. Ltd
dc.relation.ispartofActa Materialia
dc.relation.ispartofjcr6.036
dc.relation.ispartofsjr3,263
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectdensity functional theoryen
dc.subjectperovskitesen
dc.subjectoptical materialsen
dc.subjectextended X-ray absorption fine structureen
dc.subjectorder-disorder phenomenaen
dc.titleStrong violet-blue light photoluminescence emission at room temperature in SrZrO3: Joint experimental and theoretical studyen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderPergamon-Elsevier B.V. Ltd
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Química, Araraquarapt

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