Abstract
A theory is presented to predict the satellite intensity of X-ray fluorescence spectra (XRF) for ionic compounds. The Asada-Sugano theory, which predicts the intensity of shake-up satellites of transition-metal compounds, has been applied to the calculation of shake-off satellite intensity of X-ray emission spectra. Covalency of outer shell is increased due to the creation of an inner-shell hole when the resonance condition holds. The spectator hole, which has been produced by shake-off is delocalized through the temporal molecular orbital formed by a resonance of atomic orbitals, thus the satellite intensity becomes weak. The probability of resonant electron transfer through the temporal molecular orbitals has been theoretically formulated by a two-configuration model. Satellite intensities of Cl K α″ for LiCl, NaCl, KC1, RbCl and CsCl have been numerically calculated with the result that the satellite intensities of RbCl and CsCl have been found to be significantly weaker than those of LiCl, NaCl and KCl. The agreement between theory and experiment is good. This theory is found to be efficient for localized electron systems, which implies a potential for use with PIXE satellites emitted from localized deep-core levels.
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