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A structural study of the (Na1−xKx)0.5Bi0.5TiO3 perovskite series as a function of substitution (x) and temperature

Published online by Cambridge University Press:  06 March 2012

G. O. Jones ,
J. Kreisel  and
P. A. Thomas
G. O. Jones
Affiliation:
Department of Physics, University of Warwick, Coventry, CV4 7AL, United Kingdom
J. Kreisel
Affiliation:
Laboratoire Matériaux et Génie Physique, ENS de Physique de Grenoble, BP 46, 38402 St. Martin d’Héres, France
P. A. Thomas*
Affiliation:
Department of Physics, University of Warwick, Coventry, CV4 7AL, United Kingdom
*
a)Electronic mail: P.A.Thomas@warwick.ac.uk
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Abstract

Rietveld neutron powder profile analysis of the (Na1−xKx)0.5Bi0.5TiO3 (NKBT) series (x=0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) is reported over the temperature range 293–993 K. A detailed characterization of the structures and phase transitions occurring across this series as a function of temperature has been made. Room-temperature refinements have revealed a rhombohedral phase, space group R3c for x=0, 0.2, and 0.4, which exhibits an antiphase, a−a−a− oxygen tilt system with parallel cation displacements along [111]p. An intermediate zero-tilt rhombohedral phase, space group R3m possessing cation displacements along [111]p, has been established for x=0.5 and 0.6. At the potassium-rich end of the series at x=0.8 and 1.0, a tetragonal phase, space group P4mm is observed possessing cation displacements along [001]. At the sodium-rich end of the series for x=0.2, the unusual tetragonal structure with space group P4bm is seen for Na0.5Bi0.5TiO3 which possesses a combination of in-phase a0a0c+ tilts and antiparallel cation displacements along the polar axis. Temperature-induced phase transitions are reported and structural modifications are discussed.

Keywords

neutron powder diffractionA-site substituted perovskitesRietveld refinement
Type
New Diffraction Data
Information
Powder Diffraction , Volume 17 , Issue 4 , December 2002 , pp. 301 - 319
Copyright
Copyright © Cambridge University Press 2002

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