Er3+ as marker for order-disorder determination in the PbTiO3 system

dc.contributorUniversidade Estadual Paulista (UNESP)
dc.creatorParis, E. C.
dc.creatorEspinosa, J. W. M.
dc.creatorde lazaro, S.
dc.creatorLima, R. C.
dc.creatorJoya, M. R.
dc.creatorPizani, P. S.
dc.creatorLeite, E. R.
dc.creatorSouza, A. G.
dc.creatorVarela, José Arana
dc.creatorLongo, Elson
dc.date2014-05-20T15:22:54Z
dc.date2016-10-25T17:56:43Z
dc.date2014-05-20T15:22:54Z
dc.date2016-10-25T17:56:43Z
dc.date2007-05-21
dc.date.accessioned2017-04-05T23:39:11Z
dc.date.available2017-04-05T23:39:11Z
dc.identifierChemical Physics. Amsterdam: Elsevier B.V., v. 335, n. 1, p. 7-14, 2007.
dc.identifier0301-0104
dc.identifierhttp://hdl.handle.net/11449/33801
dc.identifierhttp://acervodigital.unesp.br/handle/11449/33801
dc.identifier10.1016/j.chemphys.2007.03.019
dc.identifierWOS:000247085100002
dc.identifierhttp://dx.doi.org/10.1016/j.chemphys.2007.03.019
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/877840
dc.descriptionEr3+ ions were added to the PbTiO3 network using the polymeric precursor method to characterize the order-disorder transformation found in this material by means of experimental and theoretical approach. The disordered and ordered material structures were studied by photoluminescence measurements, X-ray diffraction (XRD) and U-V-visible spectroscopy. The Er3+ ions served as a marker to identify the structural short-range order beginning in the PbTiO3 matrix. From photoluminescence results it was concluded that disordered PbTiO3 powders have a certain short range order in the network that are undetected by XRD measurements. The electronic structures were calculated by the ab initio periodic method in DFT level with the non-local B3LYP hybrid approximation for the Ti atom site interpretation using density of states (DOS) results. This analysis enabled understanding that Ti atom sphere coordination can create possible states for radioactive return and trap of electron-holes pair. (c) 2007 Elsevier B.V. All rights reserved.
dc.languageeng
dc.publisherElsevier B.V.
dc.relationChemical Physics
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectPbTiO3
dc.subjecterbium
dc.subjectphotoluminescence
dc.subjectorder-disorder
dc.subjectAb initio
dc.titleEr3+ as marker for order-disorder determination in the PbTiO3 system
dc.typeOtro


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