title: Studying the effects of Zr-doping in (Bi0.5Na0.5)TiO3via diffraction and spectroscopy.
abstract: 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 Ti(4+)/Zr(4+) cations, suggesting that there is little change in the cation off-center displacement within the BO6 octahedra with each successive phase change.
authors.affiliation: Canadian Light Source, Saskatoon, SK, S7N 2V3, Canada. peter.blanchard@lightsource.ca.
authors.forename: Peter E R
authors.initials: PE
authors.lastname: Blanchard
authors.forename: Samuel
authors.initials: S
authors.lastname: Liu
authors.forename: Brendan J
authors.initials: BJ
authors.lastname: Kennedy
authors.forename: Chris D
authors.initials: CD
authors.lastname: Ling
authors.forename: Zhaoming
authors.initials: Z
authors.lastname: Zhang
authors.forename: Maxim
authors.initials: M
authors.lastname: Avdeev
authors.forename: Ling-Yun
authors.initials: LY
authors.lastname: Jang
authors.forename: Jyh-Fu
authors.initials: JF
authors.lastname: Lee
authors.forename: Chih-Wen
authors.initials: CW
authors.lastname: Pao
authors.forename: Jeng-Lung
authors.initials: JL
authors.lastname: Chen