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dc.contributor.authorOrhan, E.-
dc.contributor.authorPontes, F. M.-
dc.contributor.authorLeite, E. R.-
dc.contributor.authorPizani, P. S.-
dc.contributor.authorVarela, José Arana-
dc.contributor.authorLongo, Elson-
dc.identifier.citationChemphyschem. Weinheim: Wiley-v C H Verlag Gmbh, v. 6, n. 8, p. 1530-1536, 2005.-
dc.description.abstractUltrafine PbZr0.20Ti0.80O3 was omorphized through high-energy mechanical milling. The structural evolution through the omorphization process was accompanied by various characterization techniques, such as X-ray diffraction, Fourier-transformed IR spectroscopy (FTIR), high-resolution transmission electron microscopy (HR-TEM), and Raman spectroscopy. A strong photoluminescence was measured at room temperature for amorphized PbZr0.20Ti0.80O3, and interpreted by means of high-level quantum mechanical calculations in the density functional theory frame-work. Three periodic models were used to represent the crystalline and amorphized PbZr0.20Ti0.80O3, and they allowed the calculation of electronic properties that are consistent with the experimental data and that explain the appearance of photoluminescence.en
dc.sourceWeb of Science-
dc.subjectdensity functional calculationspt
dc.subjectmetal oxidespt
dc.subjectX-ray diffractionpt
dc.titleExperimental and theoretical investigation of the room-temperature photoluminescence of amorphized Pb(ZrTi)O-3en
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)-
dc.contributor.institutionUniv Limoges-
dc.description.affiliationUniv Estadual Paulista, Inst Quim, BR-14801907 Araraquara, SP, Brazil-
dc.description.affiliationUniv Fed Sao Carlos, Dept Quim, BR-13565905 Sao Carlos, SP, Brazil-
dc.description.affiliationUniv Fed Sao Carlos, Dept Fis, BR-13565905 Sao Carlos, SP, Brazil-
dc.description.affiliationUniv Limoges, Fac Sci & Tech, F-87060 Limoges, France-
dc.description.affiliationUnespUniv Estadual Paulista, Inst Quim, BR-14801907 Araraquara, SP, Brazil-
dc.rights.accessRightsAcesso restrito-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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