On the separation of initial and final state effects in photoelectron spectroscopy using an extension of the auger-parameter concept |
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Authors: | George Hohlneicher Harald Pulm Hans-Joachim Freund |
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Institution: | Lehrstuhl für Theoretische Chemie, Universität zu Köln, Greinstr. 4, 5000 Köln 41 Federal Republic of Germany;Institut für Physikalische und Theoretische Chemie, Universität Erlangen-Nümberg, Egerlandstr. 3, 8520 Erlangen Federal Republic of Germany |
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Abstract: | First, we show that the quantity Δβ(i) = ΔEA(kii) + 2ΔEB(i) — ΔEB(k) is directly related to the final state relaxation contribution ΔER(i) of the binding energy shift ΔEB(i). ΔEA(kii) is the kinetic energy shift of the Auger transition which corresponds to the decay of a hole state with a hole in level k into a final state with two holes in level i. The shift parameter Δβ(i), which is based on information on two binding energies, is conceptually similar to Wagner's Auger parameter. To establish the relation between Δβ(i) and ΔR(i) one needs, however, less drastic approximations than in the case of Auger parameter shifts. The only approximation necessary is the assumption that ΔR(i) is determined by coulomb contributions.Secondly, we use Δβ (i) to analyse the experimental data of eighteen gaseous phosphorus-containing compounds obtained by Sodhi and Cavell1. It is shown that ΔR(P2p) is strongly related to changes in the polarizability of the ligands. The initial state effects derived from our study deviate from those expected on the basis of simple electronegativity considerations. |
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