First-principles quantum-mechanical techniques, based on density functional theory ͑B3LYP level͒ were employed to study the electronic structure of ordered and deformed asymmetric models for Ba 0.5 Sr 0.5 TiO 3 . Electronic properties are analyzed and the relevance of the present theoretical and experimental results on the photoluminescence behavior is discussed. The presence of localized electronic levels in the band gap, due to the symmetry break, would be responsible for the visible photoluminescence of the amorphous state at room temperature. Thin films were synthesized following a soft chemical processing. Their structure was confirmed by x-ray data and the corresponding photoluminescence properties measured.

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The photoluminescence observed in ABO3 type perovskite in their highly structural disordered state can be explained by a model in which is assumed a distribution of electronic states localized within the energy band gap coupled to lattice local vibrational states. The model fits very well the experimental results and indicates that photoluminescence in the visible region can be considered as a general behavior of disordered solids.