The Fourier-transform analysis of TiK-XANES in metamicts and glasses

L. Bugaev , F. Farges (1) , E. Rusakova , A. Sokolenko , Ya Latokha , L. Avakyan

1 G2I - Géomatériaux et géologie de l'ingénieur

The structural parameters of Ti coordination environment in glassy titanite (CaTiSiO5), natisite (Na2TiSiO5) and radiation damaged CaTiSiO5 are determined by the method proposed earlier, based on the Fourier-transform analysis of Ti K-XANES over the short k-range of photoelectrons wave numbers. The accuracy of the determined parameters is tested for the model crystals CaTiSiO5, Na2TiSiO5. The modelling of the extracted contribution into Ti-XANES, arising from the oxygen-polyhedron around the ionised Ti atom in amorphous titanites and natisite, performed via the single-shell fit and the two-shells fit, returns not only the averaged structural parameters, but also reveals the main groups of the Ti-O distances for this polyhedron.

Domaines: Physique Classique [physics.class-ph]

L. Bugaev, F. Farges, E. Rusakova, A. Sokolenko, Ya Latokha, et al.. The Fourier-transform analysis of TiK-XANES in metamicts and glasses. Physica Scripta, 2005, T115 (?), pp.168--171. ⟨hal-00693869⟩