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http://acervodigital.unesp.br/handle/11449/34993
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DC Field | Value | Language |
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dc.contributor.author | Orhan, E. | - |
dc.contributor.author | Pontes, F. M. | - |
dc.contributor.author | Santos, M. A. | - |
dc.contributor.author | Leite, E. R. | - |
dc.contributor.author | Beltran, A. | - |
dc.contributor.author | Andres, J. | - |
dc.contributor.author | Boschi, T. M. | - |
dc.contributor.author | Pizani, P. S. | - |
dc.contributor.author | Varela, José Arana | - |
dc.contributor.author | Taft, C. A. | - |
dc.contributor.author | Longo, Elson | - |
dc.date.accessioned | 2014-05-20T15:24:22Z | - |
dc.date.accessioned | 2016-10-25T17:58:34Z | - |
dc.date.available | 2014-05-20T15:24:22Z | - |
dc.date.available | 2016-10-25T17:58:34Z | - |
dc.date.issued | 2004-07-01 | - |
dc.identifier | http://dx.doi.org/10.1021/jp048877y | - |
dc.identifier.citation | Journal of Physical Chemistry B. Washington: Amer Chemical Soc, v. 108, n. 26, p. 9221-9227, 2004. | - |
dc.identifier.issn | 1520-6106 | - |
dc.identifier.uri | http://hdl.handle.net/11449/34993 | - |
dc.identifier.uri | http://acervodigital.unesp.br/handle/11449/34993 | - |
dc.description.abstract | A joint experimental and theoretical study has been carried out to rationalize the results of visible photoluminescence measurements at room temperature on Sr1-xTiO3-x (ST) perovskite thin films. From the experimental side, ST thin films, x = 0 to 0.9, have been synthesized following soft chemical processing, and the corresponding photoluminescence properties have been measured. First principles quantum mechanical techniques, based on density functional theory at the B3LYP level, have been employed to study the electronic structure of a crystalline, stoichiometric (x = 0) ST-s model and a nonstoichiometric (SrO-deficient, x not equal 0) and structurally disordered ST-d model. The relevance of the present theoretical and experimental results of the photoluminescence behavior of ST is discussed. The optical spectra and the calculations indicate that the symmetry-breaking process on going from ST-s to ST-d creates electronic levels in the valence band. Moreover, an analysis of the Mulliken charge distribution reveals a charge gradient in the structure. These combined effects seem to be responsible for the photoluminescence behavior of deficient Sr1-xTiO3-x. | en |
dc.format.extent | 9221-9227 | - |
dc.language.iso | eng | - |
dc.publisher | Amer Chemical Soc | - |
dc.source | Web of Science | - |
dc.title | Combined experimental and theoretical study to understand the photoluminescence of Sr1-xTiO3-x | en |
dc.type | outro | - |
dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
dc.contributor.institution | Universidade Federal de São Carlos (UFSCar) | - |
dc.contributor.institution | Univ Jaume 1 | - |
dc.contributor.institution | Centro Brasileiro de Pesquisas Físicas (CBPF) | - |
dc.description.affiliation | Univ Estadual Paulista, Inst Quim, BR-14801907 Araraquara, SP, Brazil | - |
dc.description.affiliation | Univ Fed Sao Carlos, Dept Quim, BR-13565905 Sao Carlos, SP, Brazil | - |
dc.description.affiliation | Univ Jaume 1, Dept Ciencies Expt, Castellon de La Plana 12080, Spain | - |
dc.description.affiliation | Univ Fed Sao Carlos, Dept Fis, BR-13565905 Sao Carlos, SP, Brazil | - |
dc.description.affiliation | Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio de Janeiro, Brazil | - |
dc.description.affiliationUnesp | Univ Estadual Paulista, Inst Quim, BR-14801907 Araraquara, SP, Brazil | - |
dc.identifier.doi | 10.1021/jp048877y | - |
dc.identifier.wos | WOS:000222279100067 | - |
dc.rights.accessRights | Acesso restrito | - |
dc.relation.ispartof | Journal of Physical Chemistry B | - |
Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp |
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