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Pb()O3-type Perovskites: Part I. Pair-correlation Theory of Order-disorder Phase Transition

Published online by Cambridge University Press:  26 July 2012

Hyun M. Jang  and
Su-Chan Kim
Hyun M. Jang*
Affiliation:
Department of Materials Science and Engineering, and Laboratory for Physics/Chemistry of Dielectric Materials, Pohang University of Science and Technology (POSTECH), Pohang 790-784, Republic of Korea
Su-Chan Kim
Affiliation:
Department of Materials Science and Engineering, and Laboratory for Physics/Chemistry of Dielectric Materials, Pohang University of Science and Technology (POSTECH), Pohang 790-784, Republic of Korea
*
a)Author to whom correspondence should be addressed.
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Abstract

The limitation of the long-range order parameter and the necessity of the short-range order parameter for the thermodynamic description of Pb()O3-type perovskites are discussed. Based on the discussion, a statistical thermodynamic model that takes into account the configuration of the neighboring B-site ions (B′ and B″ cations) was developed. A pair-correlation approximation was used in the calculation of the configurational entropy and the long-range coulombic interaction energy between the nearest B-site ions. The theoretical calculations using Pb(Sc1/2Ta1/2)O3 (PST) and Pb(Sc1/2Nb1/2)O3 (PSN) systems indicate that the short-range order parameter persists over a wide range of temperatures examined (0–1800 K) and that there possibly occur consecutive long-range order-disorder transitions in the configuration of B-site cations. The possibility of the existence of short-range ordering above the long-range order-disorder transition temperature was also examined using the annealed PSN specimen as a typical example of Pb()O3-type perovskites.

Type
Articles
Information
Journal of Materials Research , Volume 12 , Issue 8 , August 1997 , pp. 2117 - 2126
Copyright
Copyright © Materials Research Society 1997

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