Relationship between the Auger parameter and the ground state valence charge at the core-ionized site |
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Authors: | Giuliano Moretti Horst P Beck |
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Institution: | 1. Dipartimento di Chimica, Università di Roma “La Sapienza”, Roma, Italy;2. Fachbereich Chemie der Universität des Saarlandes, Saarbrücken, Germany |
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Abstract: | A simple semi-empirical model that correlates the Auger parameter to the ground state valence charge of the core-ionized atom with closed valence shell configuration, and which was previously applied to Cu(I) (3d10) compounds, is extended to Ba (II) (5d10), Pb (II) (5d104s2), and Zn (II) (3d10) compounds (halides and chalcogenides). Until now, the Auger parameter was employed to separate initial and final state effects that influence the core electron binding energy. In agreement with our model, a linear relationship is found between the Auger parameter shift and the ground state Bader valence charge obtained by density functional theory (DFT) calculations. |
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Keywords: | Auger parameter closed shell configurations and nonlocal screening mechanism core photoemissions and core-core′-core″ Auger transitions XPS of Cu(I) Ba (II) Pb (II) and Zn (II) halides and chalcogenides |
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