Investigating the local structure of B-site cations in (1-x)BaTiO3–xBiScO3 and (1-x)PbTiO3–xBiScO3 using X-ray absorption spectroscopy

The structural properties of (1-x)BaTiO3–xBiScO3 and (1-x)PbTiO3–xBiScO3 were investigated using powder X-ray diffraction and X-ray absorption spectroscopy. Diffraction measurements confirmed that substituting small amounts of BiScO3 into BaTiO3 initially stabilizes a cubic phase at x = 0.2 before impurity phases begin to form at x = 0.5. BiScO3 substitution also resulted in noticeable changes in the local coordination environment of Ti4+. X-ray absorption near-edge spectroscopy (XANES) analysis showed that replacing Ti4+ with Sc3+ results in an increase in the off-centre displacement of Ti4+ cations. Surprisingly, BiScO3 substitution has no effect on the displacement of the Ti4+ cation in the (1-x)PbTiO3–xBiScO3 solid solution. [Display omitted] •Bi-based ABO3-perovskites are being developed to replace Pb-basted materials.•(1-x)BaTO3–xBiScO3 was determined to undergo a tetragonal-cubic phase transition.•Analysis of Ti K-edge XANES spectra identified off-centre displacement of Ti4+.