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Neutron total scattering studies on A-site disorder in lead-free ferroelectric Bi0.5(Na1–xKx)0.5TiO3

  • Ilkyoung Jeong , Chang Yeol Park , Dong Jin Kim , Sun-hwa Kim , Byung Kee Moon , Ill Won Kim and Chang Won Ahn
Published/Copyright: November 30, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Volume 226 Issue 2

Abstract

We performed neutron total scattering meas urements on lead-free ferroelectric Bi0.5(Na1–xKx)0.5TiO3 (x = 0.0, 0.25) and present local structures of A-site (Bi3+, Na+/K+) ions using reverse Monte Carlo modeling. The A-site incorporation of large K+ ions suppresses the tilting of oxygen octahedra and strongly influences the off-center displacement of A-site ions. As a result, we found that the Bi—O bond length redistributes between x = 0.0 and x = 0.25. Compared to the Bi—O bond, the distribution of Na/K—O bond length was broader and smeared. Thus, the interplay between Bi3+ and K+ ions plays a key role in ferroelectric response near morphotropic phase boundary. For the Ti—O bond-length distribution, we found little change between the two compositions despite the long-range symmetry difference. This result suggests that A-site and B-site off-center displacements are decoupled.


* Correspondence address: Pusan national University, Dep. of Physics Education, Research Center for Dielectrics, 609-735 Busan, Republik Korea,

Published Online: 2010-11-30
Published in Print: 2011-02

© by Oldenbourg Wissenschaftsverlag, Busan, Germany

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