First-Principle Studies on Elastic Properties and Spontaneous Polarizations of PbTiO_3
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概要
- 論文の詳細を見る
The elastic properties of the tetragonal phase of PbTiO_3 were investigated using the full-potential linearized argumented plane wave (FLAPW) method. The geometric optimization calculations were performed against the lattice deformations. It is shown that the elastic properties including the sublattice relaxations can be well described by the simple Hook's law. The value of the spontaneous polarization using Berry's phase approach based on the optimized geometry fairly reproduced the experimental value.
- 社団法人応用物理学会の論文
- 2001-09-30
著者
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Ishii Fumiyuki
Adsm Hiroshima University
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SAKABE Yukio
Murata Manufacturing Co., Ltd.
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Tanaka Katsuhiko
Murata Manufacturing Co. Ltd.
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Tanaka Katsuhiko
Department Of Thoracic Surgery Kitasato University School Of Medicine
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Sakabe Yukio
Murata Manufacturing Co. Ltd.
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Sakabe Yukio
Murata Mfg. Co. Ltd.
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Oguchi Tamio
Adsm Hiroshima University
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Tanaka K
Murata Mfg. Co. Ltd.
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NlSHIDA Kunio
Murata Mfg. Co., Ltd.,
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KASAI Shigeharu
Murata Mfg. Co., Ltd.,
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ISHII Fumiyuki
ADSM, Hiroshima University
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OGUCHI Tamio
ADSM, Hiroshima University
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Nlshida Kunio
Murata Mfg. Co. Ltd.
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Nishida Kunio
Murata Mfg. Co., Ltd.,
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