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

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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
Volume184
Issue number1-2
DOIs
Publication statusPublished - Feb 2011

Fingerprint

emission spectra
Ions
X rays
high resolution
valence
K lines
ions
x rays
Titanium oxides
Molecular orbitals
titanium oxides
Carrier concentration
Cations
Charge transfer
molecular orbitals
Positive ions
charge transfer
Satellites
cations
orbitals

Keywords

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

ASJC Scopus subject areas

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

Cite this

Speculations on anomalous chemical states of Ti ions in FeTiO3 observed by high-resolution X-ray Kβ emission spectra. / Fujii, Tatsuo; Oohashi, Hirofumi; Tochio, Tatsunori; Ito, Yoshiaki; Vlaicu, Aurel Mihai; Fukushim, Sei.

In: Journal of Electron Spectroscopy and Related Phenomena, Vol. 184, No. 1-2, 02.2011, p. 10-15.

Research output: Contribution to journalArticle

Fujii, Tatsuo ; Oohashi, Hirofumi ; Tochio, Tatsunori ; Ito, Yoshiaki ; Vlaicu, Aurel Mihai ; Fukushim, Sei. / Speculations on anomalous chemical states of Ti ions in FeTiO3 observed by high-resolution X-ray Kβ emission spectra. In: Journal of Electron Spectroscopy and Related Phenomena. 2011 ; Vol. 184, No. 1-2. pp. 10-15.
@article{c704312e37c842cb85546ce861e0244a,
title = "Speculations on anomalous chemical states of Ti ions in FeTiO3 observed by high-resolution X-ray Kβ emission spectra",
abstract = "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.",
keywords = "Ilmenite, Inter-atomic charge transfer, Iron titanium oxides, X-ray emission spectroscopy",
author = "Tatsuo Fujii and Hirofumi Oohashi and Tatsunori Tochio and Yoshiaki Ito and Vlaicu, {Aurel Mihai} and Sei Fukushim",
year = "2011",
month = "2",
doi = "10.1016/j.elspec.2010.10.003",
language = "English",
volume = "184",
pages = "10--15",
journal = "Journal of Electron Spectroscopy and Related Phenomena",
issn = "0368-2048",
publisher = "Elsevier",
number = "1-2",

}

TY - JOUR

T1 - Speculations on anomalous chemical states of Ti ions in FeTiO3 observed by high-resolution X-ray Kβ emission spectra

AU - Fujii, Tatsuo

AU - Oohashi, Hirofumi

AU - Tochio, Tatsunori

AU - Ito, Yoshiaki

AU - Vlaicu, Aurel Mihai

AU - Fukushim, Sei

PY - 2011/2

Y1 - 2011/2

N2 - 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.

AB - 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.

KW - Ilmenite

KW - Inter-atomic charge transfer

KW - Iron titanium oxides

KW - X-ray emission spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=79952005940&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=79952005940&partnerID=8YFLogxK

U2 - 10.1016/j.elspec.2010.10.003

DO - 10.1016/j.elspec.2010.10.003

M3 - Article

VL - 184

SP - 10

EP - 15

JO - Journal of Electron Spectroscopy and Related Phenomena

JF - Journal of Electron Spectroscopy and Related Phenomena

SN - 0368-2048

IS - 1-2

ER -