La-driven morphotrophic phase boundary in the Bi(Zn1/2Ti 1/2)O3-La(Zn1/2Ti1/2)O 3-PbTiO3 solid solution

Valentino R. Cooper, James R. Morris, Shigeyuki Takagi, David J. Singh

研究成果: Article査読

10 被引用数 (Scopus)


We explore the Bi(Zn1/2Ti1/2)O3-La(Zn 1/2Ti1/2)O3-PbTiO3 pseudoternary phase diagram using density functional theory and a solid solution model. We find a region of stability against phase segregation that contains a morphotropic phase boundary. On the basis of the results, we identify a ferroelectrically active composition-dependent region that is likely to show strong electro-mechanical response. Furthermore, we find that La replacement for Bi not only lowers the polarization as might be expected, but also shifts the balance from tetragonality toward rhombohedral distortions. This may be of general use in modifying phase diagrams of A-site driven perovskite ferroelectric solid solutions to generate new morphotropic phase boundary systems.

ジャーナルChemistry of Materials
出版ステータスPublished - 2012 11 27

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

フィンガープリント 「La-driven morphotrophic phase boundary in the Bi(Zn<sub>1/2</sub>Ti <sub>1/2</sub>)O<sub>3</sub>-La(Zn<sub>1/2</sub>Ti<sub>1/2</sub>)O <sub>3</sub>-PbTiO<sub>3</sub> solid solution」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。