Origin of Fatigue in Ferroelectric Perovskite Oxides
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概要
- 論文の詳細を見る
We calculated the electronic states of ferroelectric perovskite oxides, ATiO3, using the discrete variational Xα cluster method. The bond order of the π bonds between Ti 3d and O 2p as a function of titanium ion displacement in PbTiO3 shows a maximum. This result suggests that the magnitude of ferroelectricity is related to the magnitude of the π bonds. We also found that the occupancy of s electrons in A ions increases the strength of π bonds between a titanium ion and oxygen ions. This result also suggests that the magnitude of ferroelectricity is related to the magnitude of the π bonds. Therefore, we propose that the appearance of oxygen vacancies is one of the origins of fatigue in PZT because the π bonds between a titanium ion and oxygen ions are weakened by remaining electrons of oxygen vacancies.
- INSTITUTE OF PURE AND APPLIED PHYSICSの論文
- 1996-05-15
著者
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MIURA Kaoru
Sony Corporation Research Center
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Tanaka Masahiro
Sony Corporation Core Technology & Network Company
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Miura Kaoru
Sony Corporation Research Center, 174 Fujitsuka-cho, Hodogaya-ku, Yokohama 240, Japan
関連論文
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- Origin of Fatigue in Ferroelectric Perovskite Oxides
- Dependence of Critical Thickness on Particle-Size for Ferroelectricity in BaTiO3 by Ab Initio Calculations
- Origin of Fatigue in Ferroelectric Perovskite Oxides