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Relationship between the Auger parameter and the ground state valence charge at the core‐ionized site
Author(s) -
Moretti Giuliano,
Beck Horst P.
Publication year - 2020
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.6763
Subject(s) - auger , valence (chemistry) , atomic physics , chemistry , ground state , density functional theory , ionization , binding energy , valence electron , core charge , formal charge , charge density , atom (system on chip) , core electron , electron , physics , computational chemistry , ion , organic chemistry , quantum mechanics , computer science , embedded system
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) (3d 10 ) compounds, is extended to Ba (II) (5d 10 ), Pb (II) (5d 10 4s 2 ), and Zn (II) (3d 10 ) 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.