Studying the effects of Zr-doping in (Bi0.5Na0.5)TiO3 via diffraction and spectroscopy

The structural properties of (Bi0.5Na0.5)Ti1−xZrxO3 (where 0 ≤ x ≤ 0.7) have been investigated using powder diffraction and X-ray absorption spectroscopy. Diffraction measurements on (Bi0.5Na0.5)TiO3 confirm that both monoclinic Cc and rhombohedral R3c phases are present at room temperature. Doping small amounts of Zr into the B site of (Bi0.5Na0.5)TiO3 initially stabilizes the rhombohedral phase before the orthorhombic Pnma phase begins to form at x = 0.5. Analysis of the Ti K-edge and Zr L3-edge XANES spectra show that the crystallographic phase change has very little effect on the local structure of Ti4+/Zr4+ cations, suggesting that there is little change in the cation off-center displacement within the BO6 octahedra with each successive phase change. © The Royal Society of Chemistry 2014

Keywords

Building materials, X-ray spectroscopy, Diffraction, Absorption, Trigonal lattices, Cations

Citation

Blanchard, P. E. R., Liu, S., Kennedy, B. J., Ling, C. D., Zhang, Z., Avdeev, M., Jang. L. Y., Lee, J. F., Pao, C. W., & Chen, J. L. (2014). Studying the effects of Zr-doping in (Bi0.5Na0.5)TiO3via diffraction and spectroscopy. Dalton Transactions, 43(46), 17358-17365. doi:10.1039/c4dt02520b