Thermal Evolution of BaZrO3 and SrZrO3 Perovskites from 4 K to 773 K : an EXAFS Study at Zr-K Edge - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal de Physique IV Proceedings Année : 1997

Thermal Evolution of BaZrO3 and SrZrO3 Perovskites from 4 K to 773 K : an EXAFS Study at Zr-K Edge

P. Petit
F. Guyot
F. Farges

Résumé

In order to better understand the lattice dynamics of perovskites, we have performed temperature-dependent XAS measurements at Zr-K edge on BaZrO3 and SrZrO3. At ambient temperature, BaZrO3 is cubic, and SrZrO3 orthorhombic. For both compounds, using the FEFF6 code, we modeled the EXAFS and extracted photo-electron-wave phase-shift and scattering amplitude. This procedure allowed us to extract distances and Debye-Waller factors, taking into account photo-electron multiple scattering effects. For several atom shells, we fitted the evolution of the Debye-Waller factors as a function of temperature with Einstein or Debye models. The characteristic temperatures obtained show that differences in dynamic behaviour between the two compounds are mainly due to Ba-Sr substitution and that differences in symmetry play a minor role.

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jpa-00255199 , version 1 (04-02-2008)

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P. Petit, F. Guyot, F. Farges. Thermal Evolution of BaZrO3 and SrZrO3 Perovskites from 4 K to 773 K : an EXAFS Study at Zr-K Edge. Journal de Physique IV Proceedings, 1997, 7 (C2), pp.C3-1065-C3-1067. ⟨10.1051/jp4:19972138⟩. ⟨jpa-00255199⟩

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