Distinctive Charge Density Distributions of Perovskite-Type Antiferroelectric Oxides PbZrO3 and PbHfO3 in Cubic Phase
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概要
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The electron charge density distributions of simple perovskite oxides, PbBO3 (B = Ti, Zr and Hf), in their cubic phase are investigated by analyzing high-energy synchrotron powder diffraction data by the maximum entropy method (MEM)/Rietveld method. Clear structural differences between the antiferroelectric and ferroelectric perovskites are revealed. In the cubic phase of PbZrO3 and PbHfO3 that undergo antiferroelectric phase transitions, the Pb atom is disordered around the special Wyckoff position. The thermal motion of the O atom is anisotropic, and the charge density distributions around the O atom are extended in the directions perpendicular to the Zr(Hf)-O covalent bond. None of these structural characteristics are observed in the cubic phase of PbTiO3 that undergoes ferroelectric phase transition. The distinctive structural features observed in PbZrO3 and PbHfO3 should provide a clue to the mechanism of antiferroelectric phase transition.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2004-09-15
著者
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Takata Masaki
Japan Synchrotron Radiation Research Institute
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Sakata Makoto
Department Of Applied Physics Faculty Of Engineering Nagoya University
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Kawaji Hitoshi
Materials And Structure Laboratory Tokyo Institute Of Technology
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Nishibori Eiji
Department Of Applied Physics Nagoya University
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Aoyagi Shinobu
Department Of Applied Physics Nagoya University
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Atake Tooru
Materials And Structure Laboratory Tokyo Institute Of Technology
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Sawada Akikatsu
Department Of Applied Physics Faculty Of Engineering Nagoya University:(present Address)synthetic Cr
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Fujiwara Hiroshi
Department Of Bioregulatory Medicine Ehime University Graduate School Of Medicine
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KUROIWA Yoshihiro
Department of Physical Science, Hiroshima University
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Sakata Makoto
Department of Applied Physics, Nagoya University, Chikusa-ku, Nagoya 464-8603, Japan
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Nishibori Eiji
Department of Applied Physics, Nagoya University, Chikusa-ku, Nagoya 464-8603, Japan
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Fujiwara Hiroshi
Department of Advanced Energy Engineering Sciences, Interdisciplinary Graduate School of Engineering Science, Kyusyu University
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Atake Tooru
Materials and Structures Laboratory, Tokyo Institute of Technology, Nagatsuta-cho, Midori-ku, Yokohama 226-8503, Japan
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Fujiwara Hiroshi
Department of Physics, Okayama University, Tsushima, Okayama 700-8530, Japan
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Takata Masaki
Japan Synchrotron Radiation Research Institute (JASRI), Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan
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