Logo image
Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations
Journal article   Peer reviewed

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

S.W. Chen, M.J. Huang, P.A. Lin, H.T. Jeng, J.M. Lee, S.C. Haw, S.A. Chen, H.J. Lin, K.T. Lu, D.P. Chen, …
Applied Physics Letters, Vol.102(4), 042107
28/01/2013

Abstract

We explored the orbital structure of FeTiO 3 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 FeTiO 3 will help to elucidate the paths of pressure-induced charge transfer and other physical or magnetic characteristics. © 2013 American Institute of Physics.

Metrics

1 Record Views

Details

Logo image