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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/42198
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dc.contributor.authorParis, E. C.-
dc.contributor.authorGurgel, M. F. C.-
dc.contributor.authorBoschi, T. M.-
dc.contributor.authorJoya, M. R.-
dc.contributor.authorPizani, P. S.-
dc.contributor.authorSouza, A. G.-
dc.contributor.authorLeite, E. R.-
dc.contributor.authorVarela, José Arana-
dc.contributor.authorLongo, Elson-
dc.date.accessioned2014-05-20T15:33:37Z-
dc.date.accessioned2016-10-25T18:10:15Z-
dc.date.available2014-05-20T15:33:37Z-
dc.date.available2016-10-25T18:10:15Z-
dc.date.issued2008-08-25-
dc.identifierhttp://dx.doi.org/10.1016/j.jallcom.2007.07.107-
dc.identifier.citationJournal of Alloys and Compounds. Lausanne: Elsevier B.V. Sa, v. 462, n. 1-2, p. 157-163, 2008.-
dc.identifier.issn0925-8388-
dc.identifier.urihttp://hdl.handle.net/11449/42198-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/42198-
dc.description.abstractThe aim of this work is to investigate the structural properties of the (Pb1-xErx)TiO3 (PET) powders, with x varying from 0.01 to 0.08, prepared by the polymeric precursor method. Combined X-ray diffraction, Raman spectroscopy and ab initio calculation reveal a diffuse phase-transition of a tetragonal to a cubic phase. The crystalline models built allowed to calculate electronic properties and to analyze the behavior of the doping element in the structure of the material, which are consistent with the experimental results that indicate the beginning of phase-transition from tetragonal to cubic. (C) 2007 Elsevier B.V. All rights reserved.en
dc.format.extent157-163-
dc.language.isoeng-
dc.publisherElsevier B.V. Sa-
dc.sourceWeb of Science-
dc.subjectpolymeric precursorsen
dc.subjecterbiumen
dc.subjectlead titanateen
dc.subjectab initioen
dc.subjectDFTen
dc.titleInvestigation on the structural properties in Er-doped PbTiO3 compounds: A correlation between experimental and theoretical resultsen
dc.typeoutro-
dc.contributor.institutionUniversidade Federal da Paraíba (UFPB)-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)-
dc.description.affiliationUniversidade Federal da Paraíba (UFPB), CCEN, Dept Chem, BR-58059900 Joao Pessoa, Paraiba, Brazil-
dc.description.affiliationUNESP, LIEC, CMDMC, Inst Chem, BR-14800900 Araraquara, SP, Brazil-
dc.description.affiliationUniversidade Federal de São Carlos (UFSCar), Dept Phys, BR-13565905 São Carlos, SP, Brazil-
dc.description.affiliationUniversidade Federal de São Carlos (UFSCar), LIEC, CMDMC, Dept Chem, BR-13565905 São Carlos, SP, Brazil-
dc.description.affiliationUnespUNESP, LIEC, CMDMC, Inst Chem, BR-14800900 Araraquara, SP, Brazil-
dc.identifier.doi10.1016/j.jallcom.2007.07.107-
dc.identifier.wosWOS:000258076300037-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofJournal of Alloys and Compounds-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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