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A neutron diffraction study of BaCexZr1−xO3

Published online by Cambridge University Press:  15 January 2000

T. Pagnier ,
I. Charrier-Cougoulic ,
C. Ritter  and
G. Lucazeau
T. Pagnier*
Affiliation:
Laboratoire d'Electrochimie et de Physicochimie des Matériaux et Interfaces (UMR INPG-CNRS), ENSEEG B.P. 75, 38402 Saint Martin d'Hères, France
I. Charrier-Cougoulic
Affiliation:
Laboratoire d'Electrochimie et de Physicochimie des Matériaux et Interfaces (UMR INPG-CNRS), ENSEEG B.P. 75, 38402 Saint Martin d'Hères, France
C. Ritter
Affiliation:
Institut Laue Langevin, Chemin des Martyrs, 38000 Grenoble, France
G. Lucazeau
Affiliation:
Laboratoire d'Electrochimie et de Physicochimie des Matériaux et Interfaces (UMR INPG-CNRS), ENSEEG B.P. 75, 38402 Saint Martin d'Hères, France
*
[email protected]
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Abstract

High resolution neutron diffraction patterns of BaCexZr1−xO3 (x = 0, 0.1, 0.4, 0.8) were obtained at various temperatures. The phase diagram that was deduced from Raman measurements has been confirmed. Structural transitions occur in a fixed order Pnma-Imma- R$\bar{3}$c-Pm3m as a function of temperature or composition. For BaCeO3, the large volume change that has been previously claimed at the Imma-R$\bar{3}$c transition has been revisited and found inconsistent. For a given composition, the cell volume increases when temperature increases, but the MO6 (M=Ce-Zr) octahedron volume decreases. It is shown that the ratio of the cell volume to the octahedron volume is a good indicator of the phase transitions. Transitions occur at fixed values (5.77, 5.80 and 6 for the Pnma-Imma, Imma-R$\bar{3}$c and R$\bar{3}$c-Pm3m transitions respectively) independently of composition.

Keywords

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 9 , Issue 1 , January 2000 , pp. 1 - 9
Copyright
© EDP Sciences, 2000

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References

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