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Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations

Journal Article


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Abstract


  • We explored the orbital structure of FeTiO3 with polarization-dependent x-ray absorption spectra complemented with electronic structure calculations. The electronic structure, near the bottom of conduction band, is composed of O 2p and Ti 3d orbitals. Ti 3d/4p hybridization dominantly lies on the ab plane. The highly delocalized Ti 4p orbital might hybridize with O 2p orbital and even extend to the next-neighbor Fe atom whereby establishing a linear orbital combination of Ti-O-Fe. A clear picture of the orbital construction in FeTiO3 will help to elucidate the paths of pressure-induced charge transfer and other physical or magnetic characteristics. © 2013 American Institute of Physics.

UOW Authors


  •   Chen, ShiWei (external author)
  •   Huang, Mengjie (external author)
  •   Lin, Paoan (external author)
  •   Jeng, Horngtay (external author)
  •   Lee, Jennmin (external author)
  •   Haw, Shuchih (external author)
  •   Chen, Shinan (external author)
  •   Lin, Hongji (external author)
  •   Lu, Kueihtzu (external author)
  •   Chen, Dapeng (external author)
  •   Dou, Shi
  •   Wang, Xiaolin
  •   Chen, Jinming (external author)

Publication Date


  • 2013

Citation


  • Chen, S. W., Huang, M. J., Lin, P. A., Jeng, H. T., Lee, J. M., Haw, S. C., Chen, S. A., Lin, H. J., Lu, K. T., Chen, D. P., Dou, S. X., Wang, X. & Chen, J. M. (2013). Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations. Applied Physics Letters, 102 (4), 042107-1-042107-4.

Scopus Eid


  • 2-s2.0-84873599972

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=1578&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/578

Has Global Citation Frequency


Start Page


  • 042107-1

End Page


  • 042107-4

Volume


  • 102

Issue


  • 4

Place Of Publication


  • United States

Abstract


  • We explored the orbital structure of FeTiO3 with polarization-dependent x-ray absorption spectra complemented with electronic structure calculations. The electronic structure, near the bottom of conduction band, is composed of O 2p and Ti 3d orbitals. Ti 3d/4p hybridization dominantly lies on the ab plane. The highly delocalized Ti 4p orbital might hybridize with O 2p orbital and even extend to the next-neighbor Fe atom whereby establishing a linear orbital combination of Ti-O-Fe. A clear picture of the orbital construction in FeTiO3 will help to elucidate the paths of pressure-induced charge transfer and other physical or magnetic characteristics. © 2013 American Institute of Physics.

UOW Authors


  •   Chen, ShiWei (external author)
  •   Huang, Mengjie (external author)
  •   Lin, Paoan (external author)
  •   Jeng, Horngtay (external author)
  •   Lee, Jennmin (external author)
  •   Haw, Shuchih (external author)
  •   Chen, Shinan (external author)
  •   Lin, Hongji (external author)
  •   Lu, Kueihtzu (external author)
  •   Chen, Dapeng (external author)
  •   Dou, Shi
  •   Wang, Xiaolin
  •   Chen, Jinming (external author)

Publication Date


  • 2013

Citation


  • Chen, S. W., Huang, M. J., Lin, P. A., Jeng, H. T., Lee, J. M., Haw, S. C., Chen, S. A., Lin, H. J., Lu, K. T., Chen, D. P., Dou, S. X., Wang, X. & Chen, J. M. (2013). Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations. Applied Physics Letters, 102 (4), 042107-1-042107-4.

Scopus Eid


  • 2-s2.0-84873599972

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=1578&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/578

Has Global Citation Frequency


Start Page


  • 042107-1

End Page


  • 042107-4

Volume


  • 102

Issue


  • 4

Place Of Publication


  • United States