Abstract
Very intense visible green photoluminescence (PL) was observed at room temperature in structurally ordered-disordered BaZrO3 powders. Ab initio calculations, ultraviolet-visible absorption spectroscopy, electron paramagnetic resonance, and PL were performed. Theoretical and experimental results showed that local defects in the cubic structure caused by [ZrO5⋅VOz] complex clusters, where VOz=VOx, VO•, and VO••, play an important role in the formation of hole-electron pairs, giving rise to a charge gradient in the structure which is responsible for PL emission.
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