High-energy SR powder diffraction evidence of multisite disorder of Pb atom in cubic phase of PbZr1-xTixO3

Yoshihiro Kuroiwa; Yoshihiro Terado; Su Jae Kim; Akikatsu Sawada; Yasuhisa Yamamura; Shinobu Aoyagi; Eiji Nishibori; Makoto Sakata; Masaki Takata

doi:10.1143/JJAP.44.7151

High-energy SR powder diffraction evidence of multisite disorder of Pb atom in cubic phase of PbZr_1-xTi_xO₃

Yoshihiro Kuroiwa, Yoshihiro Terado, Su Jae Kim, Akikatsu Sawada, Yasuhisa Yamamura, Shinobu Aoyagi, Eiji Nishibori, Makoto Sakata, Masaki Takata

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

39 Citations (Scopus)

Abstract

High-energy synchrotron-radiation (SR) powder diffraction experiments have been carried out to investigate the relationship between the crystal structure of the paraelectric phase in FbZr_1-xTi_xO₃, (PZT) and phase transition. The Rietveld refinement adopting the split-atom method reveals that the Pb atom in PZT, except PbTiO₃ (x = 1), is settled at multisites in relevant directions from the corner site of an ideal cubic structure. Namely, the Pb atom is found to be disordered at 12 sites in the 〈110〉 directions in PbZrO₃ (x = 0), and at 8 sites in the (111) directions in the Zr-rich region (0 < x < 0.5). The disordered motion of the Pb atom markedly changes at x = 0.5, and the 〈110〉 disorder is preferable in the Ti-rich region (0.5 < x < 1). The disordered characteristics of the Pb atom and the structural boundary observed at x = 0.5 in the paraelectric phase are significant for understanding of the mechanism of the order-disorder phase transition and appearance of a morphotropic phase boundary (MPB) in PZT.

Original language	English
Pages (from-to)	7151-7155
Number of pages	5
Journal	Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume	44
Issue number	9 B
DOIs	https://doi.org/10.1143/JJAP.44.7151
Publication status	Published - 2005 Sept 22
Externally published	Yes

Keywords

Morphotropic phase boundary
Order-disorder phase transition
PZT
Perovskite
Powder diffraction
Rietveld method
Synchrotron radiation

ASJC Scopus subject areas

Engineering(all)
Physics and Astronomy(all)

Access to Document

10.1143/JJAP.44.7151

Cite this

Kuroiwa, Y., Terado, Y., Kim, S. J., Sawada, A., Yamamura, Y., Aoyagi, S., Nishibori, E., Sakata, M., & Takata, M. (2005). High-energy SR powder diffraction evidence of multisite disorder of Pb atom in cubic phase of PbZr_1-xTi_xO₃. Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, 44(9 B), 7151-7155. https://doi.org/10.1143/JJAP.44.7151

High-energy SR powder diffraction evidence of multisite disorder of Pb atom in cubic phase of PbZr_1-xTi_xO₃. / Kuroiwa, Yoshihiro; Terado, Yoshihiro; Kim, Su Jae et al.
In: Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, Vol. 44, No. 9 B, 22.09.2005, p. 7151-7155.

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

Kuroiwa, Y, Terado, Y, Kim, SJ, Sawada, A, Yamamura, Y, Aoyagi, S, Nishibori, E, Sakata, M & Takata, M 2005, 'High-energy SR powder diffraction evidence of multisite disorder of Pb atom in cubic phase of PbZr_1-xTi_xO₃', Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, vol. 44, no. 9 B, pp. 7151-7155. https://doi.org/10.1143/JJAP.44.7151

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abstract = "High-energy synchrotron-radiation (SR) powder diffraction experiments have been carried out to investigate the relationship between the crystal structure of the paraelectric phase in FbZr1-xTixO3, (PZT) and phase transition. The Rietveld refinement adopting the split-atom method reveals that the Pb atom in PZT, except PbTiO3 (x = 1), is settled at multisites in relevant directions from the corner site of an ideal cubic structure. Namely, the Pb atom is found to be disordered at 12 sites in the 〈110〉 directions in PbZrO3 (x = 0), and at 8 sites in the (111) directions in the Zr-rich region (0 < x < 0.5). The disordered motion of the Pb atom markedly changes at x = 0.5, and the 〈110〉 disorder is preferable in the Ti-rich region (0.5 < x < 1). The disordered characteristics of the Pb atom and the structural boundary observed at x = 0.5 in the paraelectric phase are significant for understanding of the mechanism of the order-disorder phase transition and appearance of a morphotropic phase boundary (MPB) in PZT.",

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author = "Yoshihiro Kuroiwa and Yoshihiro Terado and Kim, {Su Jae} and Akikatsu Sawada and Yasuhisa Yamamura and Shinobu Aoyagi and Eiji Nishibori and Makoto Sakata and Masaki Takata",

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AU - Sawada, Akikatsu

AU - Yamamura, Yasuhisa

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