Composition variation and the monoclinic phase within Pb(Zr xTi1-x)O3 ceramics

J. Frantti; S. Eriksson; S. Hull; V. Lantto; H. Rundlöf; M. Kakihana

doi:10.1088/0953-8984/15/35/311

Composition variation and the monoclinic phase within Pb(Zr _xTi_1-x)O₃ ceramics

J. Frantti, S. Eriksson, S. Hull, V. Lantto, H. Rundlöf, M. Kakihana

Center for Exploration of New Inorganic Materials

Research output: Contribution to journal › Article › peer-review

28 Citations (Scopus)

Abstract

High-resolution neutron powder diffraction data were collected from a Pb(Zr_0.54Ti_0.46)O₃ powder sample. Data were analysed using Rietveld refinement. The diffraction patterns showed the presence of two 'coexisting' phases, which had the rhombohedral R3c and monoclinic Cm symmetries at 4 K. A phase transformation between the R3c and Cm phases occurred as a function of temperature. The Bragg peaks of the Cm phase showed strongly reflection-indices-dependent line broadening due to the spatial variation of the Zr/Ti ratio, δx. This was modelled using a microstrain broadening form developed by Stephens (1999 J. Appl. Crystallogr. 32 281). Constant microstrain surfaces were plotted for each phase at different temperatures and the microscopic changes responsible for the observed changes were identified. The phase of Cm symmetry is reproducibly absent in the limit of δx = 0.

Original language	English
Pages (from-to)	6031-6041
Number of pages	11
Journal	Journal of Physics Condensed Matter
Volume	15
Issue number	35
DOIs	https://doi.org/10.1088/0953-8984/15/35/311
Publication status	Published - 2003 Sep 10

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics

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abstract = "High-resolution neutron powder diffraction data were collected from a Pb(Zr0.54Ti0.46)O3 powder sample. Data were analysed using Rietveld refinement. The diffraction patterns showed the presence of two 'coexisting' phases, which had the rhombohedral R3c and monoclinic Cm symmetries at 4 K. A phase transformation between the R3c and Cm phases occurred as a function of temperature. The Bragg peaks of the Cm phase showed strongly reflection-indices-dependent line broadening due to the spatial variation of the Zr/Ti ratio, δx. This was modelled using a microstrain broadening form developed by Stephens (1999 J. Appl. Crystallogr. 32 281). Constant microstrain surfaces were plotted for each phase at different temperatures and the microscopic changes responsible for the observed changes were identified. The phase of Cm symmetry is reproducibly absent in the limit of δx = 0.",

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AU - Eriksson, S.

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AU - Lantto, V.

AU - Rundlöf, H.

AU - Kakihana, M.

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N2 - High-resolution neutron powder diffraction data were collected from a Pb(Zr0.54Ti0.46)O3 powder sample. Data were analysed using Rietveld refinement. The diffraction patterns showed the presence of two 'coexisting' phases, which had the rhombohedral R3c and monoclinic Cm symmetries at 4 K. A phase transformation between the R3c and Cm phases occurred as a function of temperature. The Bragg peaks of the Cm phase showed strongly reflection-indices-dependent line broadening due to the spatial variation of the Zr/Ti ratio, δx. This was modelled using a microstrain broadening form developed by Stephens (1999 J. Appl. Crystallogr. 32 281). Constant microstrain surfaces were plotted for each phase at different temperatures and the microscopic changes responsible for the observed changes were identified. The phase of Cm symmetry is reproducibly absent in the limit of δx = 0.

AB - High-resolution neutron powder diffraction data were collected from a Pb(Zr0.54Ti0.46)O3 powder sample. Data were analysed using Rietveld refinement. The diffraction patterns showed the presence of two 'coexisting' phases, which had the rhombohedral R3c and monoclinic Cm symmetries at 4 K. A phase transformation between the R3c and Cm phases occurred as a function of temperature. The Bragg peaks of the Cm phase showed strongly reflection-indices-dependent line broadening due to the spatial variation of the Zr/Ti ratio, δx. This was modelled using a microstrain broadening form developed by Stephens (1999 J. Appl. Crystallogr. 32 281). Constant microstrain surfaces were plotted for each phase at different temperatures and the microscopic changes responsible for the observed changes were identified. The phase of Cm symmetry is reproducibly absent in the limit of δx = 0.

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Composition variation and the monoclinic phase within Pb(Zr _xTi_1-x)O₃ ceramics

Abstract

ASJC Scopus subject areas

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