Neutron Diffraction Study of Crystal Structures of Deuterated Glycinium Phosphite in Paraelectric and Ferroelectric Phases(Condensed Matter : Structure, Mechanical and Thermal Properties)
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概要
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Crystal structure of deuterated glycinium phosphite was studied in the paraelectric (P) phase at 348 K and in the ferroelectric (F) phase at 223 K by means of the single crystal neutron diffraction. Deuteration rate is estimated to be 0.939 by the least-squares refinement. In the P phase, quasi-one-dimensional hydrogen bond chains are built by mutually linking the DPO^<2->_3 anions through two different types of hydrogen bonds with the bond angles of 179.2 and 171.6°. Two independent deuterons within the hydrogen bonds forming the chains are disordered over two sites separated by 0.545 and 0.539 Å. In the F phase, they order at a position nearly equal to one of two sites related by the disorder in the P phase. With the ordering of the deuterons, the P-O bonds with covalently bonded deuteron elongate, and those without covalently bonded deuteron reduce their lengths to some extent from the values determined in the P phase. Two oxygens involved in the hydrogen bond with the bond angle 179.2° exhibits especially large displacements in the F phase. This suggests strongly an importance of this hydrogen bond in the polarization appearance and in the ferroelectric transition. Comparison with results of non-deuterated salt indicates that only the hydrogen bonds forming the chains show significant isotope shift. In particular, the hydrogen bond with the bond angle 179.2° exhibits the most pronounced shift on the angle parameter defined by the angle between the line connecting two sites of disordered proton or deuteron and the line connecting two oxygens involved in the hydrogen bond.
- 社団法人日本物理学会の論文
- 2004-01-15
著者
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UCHIDA Hiroyuki
Department of Earth and Space Science, Osaka University
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KOMUKAE Masaru
Department of Applied Physics, Faculty of Science, Science University of Tokyo
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OSAKA Toshio
Department of Applied Physics, Faculty of Science, Science University of Tokyo
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Osaka Toshio
Department Of Applied Physics Tokyo University Of Science
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Osaka Toshio
Department Of Applied Physics Faculty Of Science Science University Of Tokyo
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Komukae Masaru
Department Of Applied Physics Tokyo University Of Science
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Komukae Masaru
Department Of Applied Physics Faculty Of Science Science University Of Tokyo
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Taniguchi H
Department Of Physics Kyushu University
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Taniguchi Hiroki
Department Of Surgery Kyoto Prefectural Yosanoumi Hospital
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MACHIDA Mitsuo
Department of Physics, Kyushu University
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ISHIBASHI Toku
Department of Physics, Kyushu University
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KOYANO Nobumitsu
Reserch Reactor Institute, Kyoto University
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Komukae M
Department Of Applied Physics Faculty Of Science Tokyo University Of Science
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Uchida Hiroyuki
Department Of Applied Chemistry And Biotechnology Graduate School Of Engineering University Of Fukui
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Taguchi Hiromi
Department Of Physics Faculty Of Science Saitama University
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Uchida H
Department Of Physics Kyushu University
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Taniguchi H
Department Of Physics Faculty Of Science Saitama University
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Machida M
Department Of Physics Kyushu University
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Machida Mitsuo
Department Of Chemistry And Physics Condensed Matter Kyosho University
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Mitsuo Machida
Department Of Physics Kyushu University
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Ishibashi T
Department Of Physics Kyushu University
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Taniguchi Hiroki
Department Of Physics Faculty Of Science Saitama University
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Ishibashi Toku
Department Of Chemistry And Physics Condensed Matter Kyosho University
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Koyano N
Reserch Reactor Institute Kyoto University
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Uchida Hiroyuki
Department Of Applied Chemistry And Biotechnology Faculty Of Engineering University Of Fukui
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Uchida Hiroyuki
Department Of Applied Chemistry And Biotechnology Faculty Of Engineering Fukui University
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Taniguchi Hiroki
Department of Physics, Faculty of Science, Saitama University
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