Charge Density Distributions in Bi4Ti3O12 and Bi3.25La0.75Ti3O12 in the Paraelectric Phase

被引:5
作者
Moriyoshi, Chikako [1 ]
Kimura, Sayaka [1 ]
Kuroiwa, Yoshihiro [1 ]
Kim, Su Jae [2 ]
Noguchi, Yuji [3 ]
机构
[1] Hiroshima Univ, Grad Sch Sci, Hiroshima 7398526, Japan
[2] Pusan Natl Univ, Res Ctr Dielect & Adv Matter Phys, Pusan 609735, South Korea
[3] Univ Tokyo, Adv Sci & Technol Res Ctr, Meguro Ku, Tokyo 1538904, Japan
关键词
Bi4Ti3O12; Bi3.25La0.75Ti3O12; Electron charge density distribution; Synchrotron-radiation powder-diffraction; Maximum entropy method; Rietveld method; Forroelectric phase transition; BISMUTH TITANATE; FERROELECTRIC PROPERTIES; THIN-FILMS; DEPENDENCE;
D O I
10.3938/jkps.55.794
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The electron charge density distributions of the bismuth layered ferroelectric materials Bi4Ti3O12 (BiT) and Bi3.25La0.75Ti3O12 (BLT) in the paraelectric phase are demonstrated by analyzing the high-energy synchrotron-radiation powder-diffraction data on the basis of the maximum entropy method (MEM)/Rietveld method. The crystal structures of BiT and BLT are quite similar, and no significant difference is observed in the chemical bonding nature in the paraelectric phase. This result differs from the experimental fact that, in the ferroelectric phase, electron orbital hybridization between Bi and O in the perovskite layer is formed along the a-axis in BiT while the hybridization between Bi/La and O is revealed not only along the a-axis but also along the b-axis in BLT. We attribute the unchanged Curie temperatures for the Bi4-xLaxTi3O12 system to the same crystal structures, including the chemical bonding nature, in the paraelectric phase.
引用
收藏
页码:794 / 798
页数:5
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