Abstract
Ti K-edge XANES spectra of KTiOPO 4, an important material for second harmonic generation (SHG) and several of its isomorphs including MTiOPO 4 ( M = Na, Ag) and KTi 1− x Sn x OPO 4 ( x = 0.1, 0.4, 0.5, 0.6) have been recorded. The pre-edge regions of these spectra exhibit characteristic features that are assigned to electronic transitions from the Ti 1 s to the unoccupied Ti 3 d and 4 p levels. The intensities of these pre-edge features are very sensitive to slight changes in the asymmetry of the octahedral Ti coordination sphere. Thus, in the series KTi 1− x Sn x OPO 4 the successive substitution of Ti by Sn causes a substantial decrease of the Ti coordination asymmetry. This decrease is correlated with a loss in SHG intensity.
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