Temperature dependent XAFS studies of local atomic structure of the perovskite-type zirconates

University of Grenoble, Grenoble, Rhône-Alpes, France
Physical review. B, Condensed matter (Impact Factor: 3.66). 04/2006; 73(13):134109. DOI: 10.1103/PhysRevB.73.134109


Temperature dependent preedge and extended x-ray absorption fine structure measurements at the Zr K edge for the perovskite-type zirconates PbZr0.515Ti0.485O3 (PZT), PbZrO3 (PZ), and BaZrO3 are performed. To carry out a more accurate study of the weak reconstruction of the local atomic structure we employed a combination of two techniques: (i) analysis of the preedge fine structure, and (ii) analysis of the Fourier transform of the difference between χ(k) functions obtained at different temperatures. A detailed investigation of local atomic structure in the cubic phase for all the crystals is also performed. It is shown that neither the displacive nor the order-disorder model can describe correctly the changes of local atomic structure during phase transitions in PZ and PZT. A spherical model describing the local atomic structure of perovskite-type crystals suffering structural phase transitions is proposed.

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Available from: Elena Nazarenko, Sep 11, 2014
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    • ", at the zirconium K-edge of PbZrO 3 [14], PbZr 0.515 Ti 0.485 O 3 [14], BaZrO 3 [14], at the K-edge of Mn in La 1−x Ca x MnO 3 [36] [37] and at the K-edge of Fe in in "
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