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Angular Dependence of the Ti K Edge in Rutile TiO 2
Author(s) -
Poumellec B.,
Cortes R.,
Tourillon G.,
Berthon J.
Publication year - 1991
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221640135
Subject(s) - degenerate energy levels , octahedron , excited state , atomic orbital , ground state , octahedral symmetry , rutile , atomic physics , spectral line , absorption edge , absorption spectroscopy , condensed matter physics , absorption (acoustics) , electron , materials science , physics , chemistry , crystallography , crystal structure , optics , ion , quantum mechanics , organic chemistry , band gap
The angular dependence is investigated of the X‐ray absorption spectrum of TiK edge in TiO 2 recorded in the total electron yield mode. Despite the weak distortion of the octahedral coordination, the absorption spectra exhibit wide contrast which enables designation of the excited state orbitals involved in the strong transitions. The energy splittings between the degenerate transitions in perfect octahedral symmetry are much more pronounced than could be expected from a one‐electron ground state analysis. It is deduced that the first allowed transitions (i.e. 1s → 4p) seem to show sensitive dependence on the local symmetry. However, for the weak transitions before the edge, the analysis is not straightforward and is still in progress.