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Intense violet-blue photoluminescence in BaZrO3 powders: A theoretical and experimental investigation of structural order-disorder
Authors:LS Cavalcante  JC Sczancoski  FS De Vicente  AT de Figueiredo  M Siu Li  E Longo
Institution:a LIEC, Departamento de Qu?´mica, Universidade Federal de São Carlos, Rod. Washington Luis, km 235, P.O. Box 676, 13565-905, São Carlos, São Paulo, Brazil
b Instituto de Física de São Carlos, Universidade de São Paulo, P.O. Box 369, 13560-970 São Carlos, São Paulo, Brazil
c Universidade Estadual Paulista, P.O. Box 355 and 473, 14801-907 and 17033-360, Araraquara e Bauru, São Paulo, Brazil
Abstract:Intense violet-blue photoluminescence (PL) emission at room temperature was verified in BaZrO3 (BZO) powders with structural order-disorder. Ab-initio calculations, ultraviolet-visible absorption spectroscopy and PL were performed. Theoretical results showed that the local disorder in the network-formed Zr clusters present an important role in the formation of hole-electron pair. The experimental data and theoretical results are in agreement, indicating that the PL emission in BZO powders can be related to the structural order-disorder degree in the lattice.
Keywords:BaZrO3  Photoluminescence  Structural order-disorder  Optical absorption behavior and Ab-initio calculations
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