Publication Details

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. L. & 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.


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.

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