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Intense violet-blue photoluminescence in BaZrO3 powders: A theoretical and experimental investigation of structural order-disorder |
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| Authors: | L.S. Cavalcante J.C. Sczancoski F.S. De Vicente A.T. de Figueiredo M. Siu Li E. Longo |
| Affiliation: | 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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