Experimental and theoretical correlation of very intense visible green photoluminescence in BaZrO3 powders

Abstract

Very intense visible green photoluminescence (PL) was observed at room temperature in structurally ordered-disordered BaZr O3 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 [Zr O5 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. © 2008 American Institute of Physics.