Ti K-edge XANES and Pb LIII-edge EXAFS studies of PbZr0.40Ti0.60O3 ferroelectric material

The structure of PbZr0.40Ti0.60O3 crystalline ferroelectric material was studied by powder X-ray diffraction (XRD), X-ray absorption near-edge structure (XANES) at Ti K-edge and Extended X-ray Absorption Fine Structure (EXAFS) at Pb L-III-edge. The XRD Rietveld refinement shows a tetragonal crystal structure. The resulting crystal model was used to calculate both theoretical XAFS spectra. The mismatch beween experimental and calculated XAFS spectra is interpreted as a consequence of the random distribution of Ti and Zr. The resulting disorder effect is averaged in the long-range structure probed by XRD whereas the XAFS techniques probe the local order of each site.