Very Intense Distinct Blue and Red Photoluminescence Emission in MgTiO <sub>3</sub> Thin Films Prepared by the Polymeric Precursor Method: An Experimental and Theoretical Approach

dc.contributor.authorFerri, ElÍdia Aparecida Vetter
dc.contributor.authorMazzo, Tatiana Martelli
dc.contributor.authorLongo, Valeria Moraes [UNESP]
dc.contributor.authorMoraes, Eduardo
dc.contributor.authorPizani, Paulo SÉrgio
dc.contributor.authorLi, MÁximo Siu
dc.contributor.authorEspinosa, JosÉ Waldo MartÍnez
dc.contributor.authorVarela, José Arana [UNESP]
dc.contributor.authorSilva, Elson Longo da [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Tecnologica Federal do Paraná
dc.contributor.institutionUniversidade Federal de Sao Carlos
dc.contributor.institutionUniversidade de São Paulo
dc.contributor.institutionUniversidade Federal de Goiás
dc.date.accessioned2015-05-15T13:30:14Z
dc.date.available2015-05-15T13:30:14Z
dc.date.issued2012
dc.description.abstractMgTiO3 (MTO) thin films were prepared by the polymeric precursor method with posterior spin-coating deposition. The films were deposited on Pt(111)/Ti/SiO2/Si(100) substrates and heat treated at 350 °C for 2 h and then heat treated at 400, 450, 500, 550, 600, 650 and 700 °C for 2 h. The degree of structural order−disorder, optical properties, and morphology of the MTO thin films were investigated by X-ray diffraction (XRD), micro-Raman spectroscopy (MR), ultraviolet− visible (UV−vis) absorption spectroscopy, photoluminescence (PL) measurements, and field-emission gun scanning electron microscopy (FEG-SEM) to investigate the morphology. XRD revealed that an increase in the annealing temperature resulted in a structural organization of MTO thin films. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and disordered asymmetric models. The electronic properties were analyzed, and the relevance of the present theoretical and experimental results was discussed in the light of PL behavior. The presence of localized electronic levels and a charge gradient in the band gap due to a break in the symmetry are responsible for the PL in disordered MTO lattice.en
dc.description.affiliationUniversidade Estadual Paulista Júlio de Mesquita Filho, Departamento de Bioquímica e Tecnologia Química, Instituto de Química de Araraquara, Araraquara, Rua Francisco Degni, 55, Quitandinha, CEP 14801907, SP, Brasil
dc.description.affiliationUnespUniversidade Estadual Paulista Júlio de Mesquita Filho, Departamento de Bioquímica e Tecnologia Química, Instituto de Química de Araraquara, Araraquara, Rua Francisco Degni, 55, Quitandinha, CEP 14801907, SP, Brasil
dc.format.extent15557−15567
dc.identifierhttp://dx.doi.org/10.1021/jp3021535
dc.identifier.citationJournal of Physical Chemistry, v. 116, n. 9, p. 15557−15567, 2012.
dc.identifier.doi10.1021/jp3021535
dc.identifier.issn1932-7455
dc.identifier.lattes7936101688744905
dc.identifier.lattes8843091201331133
dc.identifier.lattes4658499100908030
dc.identifier.lattes1038437165007849
dc.identifier.lattes1807399214239200
dc.identifier.lattes9848311210578810
dc.identifier.urihttp://hdl.handle.net/11449/123454
dc.language.isoeng
dc.relation.ispartofJournal of Physical Chemistry. C.
dc.relation.ispartofsjr2,135
dc.rights.accessRightsAcesso aberto
dc.sourceCurrículo Lattes
dc.titleVery Intense Distinct Blue and Red Photoluminescence Emission in MgTiO <sub>3</sub> Thin Films Prepared by the Polymeric Precursor Method: An Experimental and Theoretical Approachen
dc.typeArtigo
unesp.author.lattes7936101688744905
unesp.author.lattes8843091201331133
unesp.author.lattes4658499100908030
unesp.author.lattes1038437165007849
unesp.author.lattes1807399214239200
unesp.author.lattes9848311210578810
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Química, Araraquarapt
unesp.departmentBioquímica e Tecnologia Químicapt

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