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dc.contributor.authorParis, E. C.-
dc.contributor.authorGurgel, M. F. C.-
dc.contributor.authorJoya, M. R.-
dc.contributor.authorCasali, G. P.-
dc.contributor.authorPaiva-Santos, C. O.-
dc.contributor.authorBoschi, T. M.-
dc.contributor.authorPizani, P. S.-
dc.contributor.authorVarela, José Arana-
dc.contributor.authorLongo, Elson-
dc.date.accessioned2014-05-20T15:31:51Z-
dc.date.accessioned2016-10-25T18:07:51Z-
dc.date.available2014-05-20T15:31:51Z-
dc.date.available2016-10-25T18:07:51Z-
dc.date.issued2010-01-01-
dc.identifierhttp://dx.doi.org/10.1016/j.jpcs.2009.09.012-
dc.identifier.citationJournal of Physics and Chemistry of Solids. Oxford: Pergamon-Elsevier B.V. Ltd, v. 71, n. 1, p. 12-17, 2010.-
dc.identifier.issn0022-3697-
dc.identifier.urihttp://hdl.handle.net/11449/40889-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/40889-
dc.description.abstractPb1-xSmxTiO3 (PST) powders with x varying from 0 to 0.1 were obtained by the polymeric precursor method, a soft chemical route. The vibrational properties relating tetragonal to pseudo-cubic phase transition were studied by Raman spectroscopy. The results obtained showed that the phase transition is extremely dependent upon the samarium content and presents a diffuse behavior. Monitoring of the oxygen 2p and titanium 3d orbitals was performed by the periodic mechanical quantum method, revealing the changes that occur with the distribution and contribution of the hybrid orbitals due to the samarium influence. (C) 2009 Elsevier Ltd. All rights reserved.en
dc.description.sponsorshipFAPESQ-
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
dc.description.sponsorshipFinanciadora de Estudos e Projetos (FINEP)-
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)-
dc.format.extent12-17-
dc.language.isoeng-
dc.publisherPergamon-Elsevier B.V. Ltd-
dc.sourceWeb of Science-
dc.subjectOxidesen
dc.subjectChemical synthesisen
dc.subjectAb initio calculationsen
dc.subjectluminescenceen
dc.titleStructural deformation monitored by vibrational properties and orbital modeling in (Pb,Sm)TiO3 systemsen
dc.typeoutro-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)-
dc.contributor.institutionUniv Nacl Colombia-
dc.description.affiliationUNESP, Inst Chem, CMDMC, LIEC, BR-14800900 Araraquara, SP, Brazil-
dc.description.affiliationUniversidade Federal de São Carlos (UFSCar), Dept Chem, CMDMC, LIEC, BR-13565905 São Carlos, SP, Brazil-
dc.description.affiliationUniv Nacl Colombia, Dept Phys, Bogota, Colombia-
dc.description.affiliationUniversidade Federal de São Carlos (UFSCar), Dept Phys, BR-13565905 São Carlos, SP, Brazil-
dc.description.affiliationUnespUNESP, Inst Chem, CMDMC, LIEC, BR-14800900 Araraquara, SP, Brazil-
dc.identifier.doi10.1016/j.jpcs.2009.09.012-
dc.identifier.wosWOS:000272952300003-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofJournal of Physics and Chemistry of Solids-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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