Speculations on anomalous chemical states of Ti ions in FeTiO3 observed by high-resolution X-ray Kβ emission spectra

Tatsuo Fujii, Hirofumi Oohashi, Tatsunori Tochio, Yoshiaki Ito, Aurel Mihai Vlaicu, Sei Fukushim

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6 Citations (Scopus)


A series of high-resolution Ti Kβ X-ray emission spectra were measured for various isomorphous titanium oxides with composition MTiO3, where M was divalent Mg, Mn, Fe, Co, or Ni. The detailed spectral features of Ti Kβ lines for MTiO3 were intermediate between those of TiO 2 and Ti2O3 depending on the coexisting cation species M, though the formal valence states of all Ti ions in MTiO3 were consistent with those in TiO2. Especially in the case of FeTiO3, the features in both main and satellite lines had many similarities of Ti2O3. The Ti Kβ X-rays of FeTiO 3 seemed to be emitted by the transition from Ti3+-like states. Because of the small difference in energies and the large overlap between Ti 3d and Fe 3d orbitals, intermediate core-hole states occurring on the X-ray emission process might produce the inter-valence charge transfer from Fe2+ to Ti4+ to form the Ti3+-like states. The DV Xα calculations based on the molecular orbital theory can reproduce the satellite structures to assume the increasing 3d electron densities on Ti for FeTiO3.

Original languageEnglish
Pages (from-to)10-15
Number of pages6
JournalJournal of Electron Spectroscopy and Related Phenomena
Issue number1-2
Publication statusPublished - Feb 2011


  • Ilmenite
  • Inter-atomic charge transfer
  • Iron titanium oxides
  • X-ray emission spectroscopy

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry


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