Very Intense Distinct Blue and Red Photoluminescence Emission in MgTiO3 Thin Films Prepared by the Polymeric Precursor Method: An Experimental and Theoretical Approach

dc.contributorUniversidade Estadual Paulista (UNESP)
dc.creatorVetter Ferri, Elidia Aparecida
dc.creatorMazzo, Tatiana Martelli
dc.creatorLongo, Valeria Moraes
dc.creatorMoraes, Eduardo
dc.creatorPizani, Paulo Sergio
dc.creatorLi, Maximo Siu
dc.creatorMartinez Espinosa, Jose Waldo
dc.creatorVarela, José Arana
dc.creatorLongo, Elson
dc.date2014-05-20T14:18:45Z
dc.date2016-10-25T17:40:43Z
dc.date2014-05-20T14:18:45Z
dc.date2016-10-25T17:40:43Z
dc.date2012-07-26
dc.date.accessioned2017-04-05T22:29:23Z
dc.date.available2017-04-05T22:29:23Z
dc.identifierJournal of Physical Chemistry C. Washington: Amer Chemical Soc, v. 116, n. 29, p. 15557-15567, 2012.
dc.identifier1932-7447
dc.identifierhttp://hdl.handle.net/11449/25664
dc.identifierhttp://acervodigital.unesp.br/handle/11449/25664
dc.identifier10.1021/jp30215351
dc.identifierWOS:000306725200045
dc.identifierhttp://dx.doi.org/10.1021/jp30215351
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/870523
dc.descriptionMgTiO3 (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 degrees 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.
dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.languageeng
dc.publisherAmer Chemical Soc
dc.relationJournal of Physical Chemistry C
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titleVery Intense Distinct Blue and Red Photoluminescence Emission in MgTiO3 Thin Films Prepared by the Polymeric Precursor Method: An Experimental and Theoretical Approach
dc.typeOtro


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