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- Strong violet-blue light photoluminescence emission at room temperature in SrZrO3: Joint experimental and theoretical study
- Universidade Estadual Paulista (UNESP)
- Universidade Federal de São Carlos (UFSCar)
- Universidade de São Paulo (USP)
- Cidade Univ
- 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.
- Acta Materialia. Oxford: Pergamon-Elsevier B.V. Ltd, v. 56, n. 10, p. 2191-2202, 2008.
- Pergamon-Elsevier B.V. Ltd
- density functional theory
- optical materials
- extended X-ray absorption fine structure
- order-disorder phenomena
- Acesso restrito
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