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.
Relationship between the Auger parameter and the ground state valence charge at the core-ionized site / Moretti, Giuliano; Beck Horst, P.. - In: SURFACE AND INTERFACE ANALYSIS. - ISSN 0142-2421. - (2020). [10.1002/sia.6763]
Titolo: | Relationship between the Auger parameter and the ground state valence charge at the core-ionized site | |
Autori: | ||
Data di pubblicazione: | 2020 | |
Rivista: | ||
Citazione: | Relationship between the Auger parameter and the ground state valence charge at the core-ionized site / Moretti, Giuliano; Beck Horst, P.. - In: SURFACE AND INTERFACE ANALYSIS. - ISSN 0142-2421. - (2020). [10.1002/sia.6763] | |
Handle: | http://hdl.handle.net/11573/1444667 | |
Appartiene alla tipologia: | 01a Articolo in rivista |
File allegati a questo prodotto
File | Note | Tipologia | Licenza | |
---|---|---|---|---|
Moretti_Relationship_2020.pdf | https://onlinelibrary.wiley.com/doi/epdf/10.1002/sia.6763 | Documento in Post-print (versione successiva alla peer review e accettata per la pubblicazione) | ![]() | Open Access Visualizza/Apri |