Experimental and theoretical investigation of the room-temperature photoluminescence of amorphized Pb(ZrTi)O-3

dc.contributorUniversidade Estadual Paulista (UNESP)
dc.creatorOrhan, E.
dc.creatorPontes, F. M.
dc.creatorLeite, E. R.
dc.creatorPizani, P. S.
dc.creatorVarela, José Arana
dc.creatorLongo, Elson
dc.date2014-05-20T15:27:20Z
dc.date2016-10-25T18:02:08Z
dc.date2014-05-20T15:27:20Z
dc.date2016-10-25T18:02:08Z
dc.date2005-08-12
dc.date.accessioned2017-04-06T00:01:33Z
dc.date.available2017-04-06T00:01:33Z
dc.identifierChemphyschem. Weinheim: Wiley-v C H Verlag Gmbh, v. 6, n. 8, p. 1530-1536, 2005.
dc.identifier1439-4235
dc.identifierhttp://hdl.handle.net/11449/37341
dc.identifierhttp://acervodigital.unesp.br/handle/11449/37341
dc.identifier10.1002/cphc.200500030
dc.identifierWOS:000231378900015
dc.identifierhttp://dx.doi.org/10.1002/cphc.200500030
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/880674
dc.descriptionUltrafine 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.
dc.languageeng
dc.publisherWiley-Blackwell
dc.relationChemphyschem
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectamorphization
dc.subjectdensity functional calculations
dc.subjectmetal oxides
dc.subjectphotoluminescence
dc.subjectX-ray diffraction
dc.titleExperimental and theoretical investigation of the room-temperature photoluminescence of amorphized Pb(ZrTi)O-3
dc.typeOtro


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