Strong violet-blue light photoluminescence emission at room temperature in SrZrO3: Joint experimental and theoretical study
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Data
2008-06-01
Autores
Longo, V. M.
Cavalcante, L. S.
Erlo, R.
Mastelaro, V. R.
de Figueiredo, A. T.
Sambrano, J. R. [UNESP]
de Lazaro, S.
Freitas, A. Z.
Gomes, L.
Vieira, N. D.
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Editor
Pergamon-Elsevier B.V. Ltd
Resumo
Ultrafine ordered and disordered SrZrO3 powders were prepared by the polymeric precursor method. The structural evolution from structural disorder to order was monitored by X-ray diffraction and X-ray absorption near-edge spectroscopy. Complex cluster vacancies [ZrO5 center dot V-O(Z)] and [SrOII center dot V-O(Z)] (where V-O(Z) = V-O(X), V-O(center dot) and V-O(center dot center dot)) were proposed for disordered powders. The intense violet-blue light photoluminescence emission measured at room temperature in the disordered powders was attributed to complex cluster vacancies. High-level quantum mechanical calculations within the density functional theory framework were used to interpret the experimental results. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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density functional theory, perovskites, optical materials, extended X-ray absorption fine structure, order-disorder phenomena
Como citar
Acta Materialia. Oxford: Pergamon-Elsevier B.V. Ltd, v. 56, n. 10, p. 2191-2202, 2008.