Intense violet–blue photoluminescence in BaZrO3 powders: A theoretical and experimental investigation of structural order–disorder

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 in the network-formed Zr clusters present an important role in the formation of hole–electron pair. The experimental data and theoretical results are in agreement, indicating that the PL emission in BZO powders can be related to the structural order–disorder degree in the lattice.