Distinctive Charge Density Distributions of Perovskite-Type Antiferroelectric Oxides PbZrO₃and PbHfO₃in Cubic Phase

• Kuroiwa Yoshihiro

  Department of Physics, Okayama University

• Fujiwara Hiroshi

  Department of Physics, Okayama University

• Sawada Akikatsu

  Department of Physics, Okayama University

• Aoyagi Shinobu

  Department of Applied Physics, Nagoya University

• Nishibori Eiji

  Department of Applied Physics, Nagoya University

• Sakata Makoto

  Department of Applied Physics, Nagoya University

• Takata Masaki

  Japan Synchrotron Radiation Research Institute (JASRI)

• Kawaji Hitoshi

  Materials and Structures Laboratory, Tokyo Institute of Technology

• Atake Tooru

  Materials and Structures Laboratory, Tokyo Institute of Technology

書誌事項

タイトル別名

• Distinctive Charge Density Distributions of Perovskite-Type Antiferroelectric Oxides PbZrO3 and PbHfO3 in Cubic Phase

抄録

The electron charge density distributions of simple perovskite oxides, PbBO₃ (B = Ti, Zr and Hf), in their cubic phase are investigated by analyzing high-energy synchrotron powder diffraction data by the maximum entropy method (MEM)/Rietveld method. Clear structural differences between the antiferroelectric and ferroelectric perovskites are revealed. In the cubic phase of PbZrO₃ and PbHfO₃ that undergo antiferroelectric phase transitions, the Pb atom is disordered around the special Wyckoff position. The thermal motion of the O atom is anisotropic, and the charge density distributions around the O atom are extended in the directions perpendicular to the Zr(Hf)-O covalent bond. None of these structural characteristics are observed in the cubic phase of PbTiO₃ that undergoes ferroelectric phase transition. The distinctive structural features observed in PbZrO₃ and PbHfO₃ should provide a clue to the mechanism of antiferroelectric phase transition.

収録刊行物

• Japanese Journal of Applied Physics

  Japanese Journal of Applied Physics 43 (9B), 6799-6802, 2004

  The Japan Society of Applied Physics

キーワード

• PbTiO<SUB>3</SUB>
• PbZrO<SUB>3</SUB>
• PbHfO<SUB>3</SUB>
• perovskite
• charge density
• synchrotron radiation
• powder diffraction
• structure analysis
• order-disorder
• antiferroelectric

詳細情報

• CRID: 1390282681242143360
• NII論文ID: 10013612639
• NII論文ID: 130004532910
• NII論文ID: 210000056480
• NII書誌ID: AA10457675
• DOI: 10.1143/jjap.43.6799
• ISSN: 13474065
• ISSN: 00214922
• ISSN: http://id.crossref.org/issn/13474065
• NDL書誌ID: 7107105
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I7107105
• Web Site: https://iopscience.iop.org/article/10.1143/JJAP.43.6799
• Web Site: https://iopscience.iop.org/article/10.1143/JJAP.43.6799/pdf
• 本文言語コード: en
• データソース種別:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• 抄録ライセンスフラグ: 使用不可