Structure and optical properties of [Ba1–xY2x/3](Zr0.25Ti0.75)O3 powders

[Ba1–xY2x/3](Zr0.25Ti0.75)O3 powders with different yttrium concentrations (x = 0, 0.025 and 0.05) were prepared by solid state reaction. These powders were analyzed by X-ray diffraction (XRD), Fourier transform Raman scattering (FT-RS), Fourier transform infrared (FT-IR) and X-ray absorption near-edge (XANES) spectroscopies. The optical properties were investigated by means of ultraviolet–visible (UV–vis) absorption spectroscopy and photoluminescence (PL) measurements. Even with the addition of yttrium, the XRD patterns revealed that all powders crystallize in a perovskite-type cubic structure. FT-RS and FT-IR spectra indicated that the presence of [YO6] clusters is able to change the interaction forces between the O–Ti–O and O–Zr–O bonds. XANES spectra were used to obtain information on the off-center Ti displacements or distortion effects on the [TiO6] clusters. The different optical band gap values estimated from UV–vis spectra suggested the existence of intermediary energy levels (shallow or deep holes) within the band gap. The PL measurements carried out with a 350 nm wavelength at room temperature showed that all powders present typical broad band emissions in the blue region.

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