Substitution Mechanism of Mn and Fe Ions in Bi4Ti3O12

Kazuma Nishimura, Tsuyoshi Yoshioka, Tomoyuki Yamamoto*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


Single-phased polycrystalline Mn-and Fe-doped Bi4Ti3O12 were fabricated using a solid-state reaction technique, doping with various concentrations of Mn and Fe ions. Substitution mechanism of Mn and Fe ions in Bi4Ti3O12 were investigated with X-ray absorption near-edge structure (XANES) measurements and first-principles calculations. The valence states of the Mn and Fe ions are 4+ and 3+, respectively, inferred from the L2,3-edge XANES profiles. From the K-edge XANES analysis, it is determined that Mn and Fe ions are substituted at one of the Ti sites, i.e., Ti(2a) or Ti(4e) sites. Our first-principles total electronic energy calculations suggest that Mn ions are likely to substitute at Ti(2a) sites rather than at Ti(4e) sites, whereas the opposite is true for Fe substitution. Taken together, these results give a clear description of the locations and charge states of the Mn and Fe dopants in Bi4Ti3O12.

Original languageEnglish
Article number6832789
JournalIEEE Transactions on Magnetics
Issue number6
Publication statusPublished - 2014 Jun 1


  • Bismuth titanate
  • X-ray absorption near-edge structure (XANES)
  • first-principles calculation
  • substitution mechanism

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Electrical and Electronic Engineering


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