5 years ago

Local vs Nonlocal States in FeTiO3 Probed with 1s2pRIXS: Implications for Photochemistry

Local vs Nonlocal States in FeTiO3 Probed with 1s2pRIXS: Implications for Photochemistry
Dimosthenis Sokaras, Thomas Kroll, Mario U. Delgado-Jaime, Frank M. F. de Groot, Patric Zimmermann, Wilayat Khan, Myrtille O. J. Y. Hunault, Jan Minár
Hybridization between Fe2+ and Ti4+ 3d and 4p orbitals in ilmenite FeTiO3 is evidenced for the first time using 1s2pRIXS and in light of DFT GGA+U and crystal field multiplet calculations. An experimentally supported picture of the valence and conduction bands is derived and enables identification of metal-to-metal charge transfer states.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b00938

DOI: 10.1021/acs.inorgchem.7b00938

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