Experimental Visualization of Valence Charge Density Distribution in Ferroelectric materials

铁电材料中价电荷密度分布的实验可视化

• 批准号: 20560010
• 负责人: KUROIWA Yoshihiro
• 金额: $ 3万
• 依托单位: Hiroshima University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2008
• 资助国家: 日本
• 起止时间: 2008 至 2010
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20560010/
• 关键词: 強誘電体; ペロブスカイト; X線回折; 電子密度; 放射光; 単結晶構造解析; 粉末結晶構造解析

Development of the experimental technique on the visualization of valence charge density distributions has been carried out associated with the phase transitions, dielectric properties and states of chemical bonding in ferroelectric materials. Direct evidence of the electron polarization in PbTiO_3 is demonstrated by analyzing high energy synchrotron radiation diffraction data using the MEM/Rietveld method. The relationship between the bonding electron density and the phase transition temperature is clarified for the BaTiO_3-based ceramics. The crystal structures of several ferroelectric materials with peculiar oxygen coordination are analyzed at electron charge density levels.

价电荷密度分布可视化实验技术的开发已与铁电材料中的相变、介电性能和化学键状态相关。通过使用 MEM/Rietveld 方法分析高能同步辐射衍射数据，证明了 PbTiO_3 中电子极化的直接证据。阐明了BaTiO_3基陶瓷的键合电子密度与相变温度之间的关系。在电子电荷密度水平上分析了几种具有特殊氧配位的铁电材料的晶体结构。

项目成果

Extremely High Resolution Single Crystal Diffractometory for Orbital Resolution using High Energy Synchrotron Radiation at SPring-8

• DOI: 10.1063/1.3463359
• 发表时间: 2010-01-01
• 期刊: SRI 2009: THE 10TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION
• 作者: Sugimoto, Kunihisa;Ohsumi, Hiroyuki;Takata, Masaki
• 通讯作者: Takata, Masaki

Charge density distribution and electrostatic potential of ferroelectric (Ba_<0.94>Ca_<0.06>)TiO_3

铁电体(Ba_<0.94>Ca_<0.06>)TiO_3的电荷密度分布和静电势

• 发表时间: 2008
• 作者: Y.Iwahori;H.Tanaka;M.Takata;Y.Terado;C.Moriyoshi;Y.Kuroiwa
• 通讯作者: Y.Kuroiwa

Giant Tetragonal Lattice Strain Observed in BiFeO_3-PbTiO_3 System by Synchrotron Radiation Powder Diffraction.

同步辐射粉末衍射观察BiFeO_3-PbTiO_3体系中的巨大四方晶格应变。

• 发表时间: 2010
• 作者: K.Taji;C.Moriyoshi;F.Yoshida;Y.Kuroiwa
• 通讯作者: Y.Kuroiwa

In Situ Crystal Structure Investigation of BaTiO3-Based Ceramics under Electric Fields by High Energy Synchrotron Radiation Diffraction

高能同步辐射衍射法研究电场下 BaTiO3 基陶瓷的原位晶体结构

• 发表时间: 2010
• 作者: 高橋和也;一戸善弘;本間一臣;今井和明;鈴木和彦;澤田孝幸;木村信行;木村尚仁;Y.Kuroiwa
• 通讯作者: Y.Kuroiwa

Effect of Atomic Substitution on Crystal Structure and Phase Transition in (Ba_<1-x>R_x)(Ti_<1-x>Mg_<0.5x>)O_3 (R : Rare Earth Metal) System

原子取代对(Ba_<1-x>R_x)(Ti_<1-x>Mg_<0.5x>)O_3(R:稀土金属)体系晶体结构和相变的影响

• 发表时间: 2008
• 作者: T.Hashimoto;Y.Terado;C.Moriyoshi;Y.Kuriowa;N.Inoue
• 通讯作者: N.Inoue