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dc.contributor.authorPontes, D. S. L. [UNESP]
dc.contributor.authorGracia, L.
dc.contributor.authorPontes, Fenelon Martinho Lima [UNESP]
dc.contributor.authorBeltran, A. [UNESP]
dc.contributor.authorAndres, J.
dc.contributor.authorLongo, Elson [UNESP]
dc.identifier.citationJournal of Materials Chemistry. Cambridge: Royal Soc Chemistry, v. 22, n. 14, p. 6587-6596, 2012.
dc.description.abstractPbZr0.40Ti0.60O3 (PZT40/60) thin films with ferroelectric and dielectric properties have been grown on Pt/Ti/SiO2/Si and LaAlO3 (100) substrates using the chemical solution deposition method. These films have been characterized by different techniques such as X-ray diffraction (XRD), Raman, infrared and optical transmittance measurements. The transmittance curve of the PZT40/60 thin films on a LaAlO3 (100) substrate showed an optical band gap of 4.03 and 3.10 eV for the direct and indirect transition processes, respectively. To complement experimental data, first principles calculations at the DFT-B3LYP level were performed on periodic model systems of PbTiO3 and PZT40/60 to provide an insight into structural, optical and electronic behavior. The band gap of the PZT40/60 system for PbO and ZrO2 terminations is in agreement with trends of experimental data and results in smaller values than the band gap calculated for the PbTiO3 system.en
dc.description.sponsorshipSpanish MALTA-Consolider Ingenio Program
dc.description.sponsorshipBancaixa Foundation
dc.description.sponsorshipSpanish-Brazilian Program
dc.description.sponsorshipCiência e Innovacion
dc.description.sponsorshipGeneralitat Valenciana
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofJournal of Materials Chemistry
dc.sourceWeb of Science
dc.titleSynthesis, optical and ferroelectric properties of PZT thin films: experimental and theoretical investigationen
dcterms.rightsHolderRoyal Soc Chemistry
dc.contributor.institutionUniv Jaume 1
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.description.affiliationUniv Jaume 1, Dept Quim Fis & Analit, E-12080 Castellon de La Plana, Spain
dc.description.affiliationUNESP, Inst Quim, BR-17033360 Bauru, Brazil
dc.description.affiliationUNESP, Inst Quim, LIEC, BR-14800900 Araraquara, SP, Brazil
dc.description.affiliationUnespUNESP, Inst Quim, BR-17033360 Bauru, Brazil
dc.description.affiliationUnespUNESP, Inst Quim, LIEC, BR-14800900 Araraquara, SP, Brazil
dc.rights.accessRightsAcesso restrito
dc.description.sponsorshipIdSpanish MALTA-Consolider Ingenio Program: CSD2007-00045
dc.description.sponsorshipIdBancaixa Foundation: P11B2009-08
dc.description.sponsorshipIdSpanish-Brazilian Program: PHB2009-0065-PC
dc.description.sponsorshipIdCiência e Innovacion: CTQ2009-14541-C02
dc.description.sponsorshipIdGeneralitat Valenciana: Prometeo/2009/053
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Ciências, Baurupt
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