Intense violet–blue photoluminescence in BaZrO3 powders: A theoretical and experimental investigation of structural order–disorder
作者： L.S. Cavalcante , J.C. Sczancoski , V.M. Longo , F.S. De Vicente , J.R. Sambrano
DOI: 10.1016/J.OPTCOM.2008.03.069
关键词: Ab initio quantum chemistry methods 、 Optical materials 、 Ultraviolet visible spectroscopy 、 Optics 、 Materials science 、 Absorption spectroscopy 、 Photoluminescence 、 Physical and Theoretical Chemistry 、 Electrical and Electronic Engineering 、 Atomic and Molecular Physics, and Optics 、 Electronic, Optical and Magnetic Materials
摘要: 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 network-formed Zr clusters present an important role formation of hole–electron pair. The experimental data theoretical are agreement, indicating BZO can be related to order–disorder degree lattice.
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