Dynamical behavior of x-ray absorption and scattering at the L edge of titanium compounds: Experiment and theory
Por:
Jiménez-Mier J., Van Ek J., Ederer D.L., Callcott T.A., Jia J.J., Carlisle J., Terminello L., Asfaw A., Perera R.C.
Publicada:
1 ene 1999
Resumen:
Detailed experimental results and model caclulations for the evolution of the x-ray fluorescence in the vicinity of the L absorption edge of titanium in metallic Ti and TiO and insulating TiO2 and BaTiO3 are presented. Behavior characteristic of x-ray Raman scattering was found in all samples. We develop a model that describes the valence band emission below the L3 absorption threshold in terms of the calculated partial density of states and the Kramers-Heisenberg x-ray scattering formalism. Linear muffin-tin orbital band structure calculations were used for the projected density of states in the model. In the region below the L3 absorption edge very good agreement between experiment and the model was found for all compounds. We propose a mechanism for the energy shift of the emission spectra for TiO2 and BaTiO3. An explanation of the Raman energy loss in terms of the excitation of a valence electron into localized states of d symmetry in the conduction band is also provided. ©1999 The American Physical Society.
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