Possibility of ferroelectric bismuth and nitrogen co-doped barium titanate

• YAMADA Takahiro

  Nano-Phononics Lab., School of Materials and Chemical Technology, Tokyo Institute of Technology

• TAKEDA Hiroaki

  Nano-Phononics Lab., School of Materials and Chemical Technology, Tokyo Institute of Technology

• TSURUMI Takaaki

  Nano-Phononics Lab., School of Materials and Chemical Technology, Tokyo Institute of Technology

• HOSHINA Takuya

  Nano-Phononics Lab., School of Materials and Chemical Technology, Tokyo Institute of Technology

Abstract

The possibility of bismuth (Bi) and nitrogen (N) co-doped barium titanate (BaTiO₃) as a ferroelectric material was investigated by calculation and experiment. From first principles calculations, it was found that Bi and N co-doped BaTiO₃ has a higher spontaneous polarization than undoped BaTiO₃ since dopant Bi and N ions contribute to the enhancement of covalent interactions between cations and anions. Because it was revealed that the ferroelectricity of BaTiO₃ can be improved by co-doping of Bi and N, we demonstrated the synthesis of (Ba,Bi)Ti(O,N)₃. Single phase oxynitride (Ba,Bi)Ti(O,N)₃ powder was fabricated by annealing (Ba,Bi)TiO₃ in NH₃ gas. The tetragonal distortion of (Ba,Bi)Ti(O,N)₃ was smaller than that of BaTiO₃, which may be due to A-site and O-site vacancies in the perovskite lattice introduced during NH₃ annealing.

Journal

• Journal of the Ceramic Society of Japan

  Journal of the Ceramic Society of Japan 128 (8), 486-491, 2020-08-01

  The Ceramic Society of Japan

Keywords

• Barium titanate
• Oxynitride
• Ferroelectricity
• First-principles calculation
• Powder process

Details

• CRID: 1390003825203592192
• NII Article ID: 130007883920
• DOI: 10.2109/jcersj2.20020
• ISSN: 13486535
• ISSN: 18820743
• Web Site: https://www.jstage.jst.go.jp/article/jcersj2/128/8/128_20020/_pdf
• Text Lang: en
• Data Source:
  • JaLC
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed