Visible PL phenomenon at room temperature in disordered structure of SrWO4 powder

dc.contributorUniversidade Estadual Paulista (Unesp)
dc.contributorUniversidade Federal de São Carlos (UFSCar)
dc.contributorUniv Limoges
dc.contributorUniversidade Federal da Paraíba (UFPB)
dc.date.accessioned2014-05-20T15:21:05Z
dc.date.available2014-05-20T15:21:05Z
dc.date.created2014-05-20T15:21:05Z
dc.date.issued2005-01-01
dc.identifierJournal of Computer-aided Materials Design. Dordrecht: Springer, v. 12, n. 2-3, p. 111-119, 2005.
dc.identifier0928-1045
dc.identifierhttp://hdl.handle.net/11449/32271
dc.identifier10.1007/s10820-006-9002-4
dc.identifierWOS:000240432700004
dc.description.abstractThe SrWO4 (SWO) powders were synthesized by the polymeric precursor method and annealed at different temperatures. The SWO structure was obtained by X-ray diffraction and the corresponding photoluminescence (PL) spectra was measured. The PL results reveal that the structural order-disorder degree in the SWO lattice influences in the PL emission intensity. Only the structurally order-disordered samples present broad and intense PL band in the visible range. To understand the origin of this phenomenon, we performed quantum-mechanical calculations with crystalline and order-disordered SWO periodic models. Their electronic structures were analyzed in terms of band structure. The appearance of localized levels in the band gap of the order-disordered structure was evidenced and is a favorable condition for the intense PL to occur.
dc.languageeng
dc.publisherSpringer
dc.relationJournal of Computer-aided Materials Design
dc.rightsAcesso restrito
dc.sourceWeb of Science
dc.subjectelectronic structure
dc.subjectorder-disorder
dc.subjectoxide powder
dc.subjectphotoluminescence
dc.subjectscheelite
dc.subjectSrWO4
dc.titleVisible PL phenomenon at room temperature in disordered structure of SrWO4 powder
dc.typeArtículos de revistas


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