Abstract
A brief review on the use of Auger parameters and Wagner plots (chemical-state plots) in the characterization of surfaces by XPS is presented with particular reference on their applications to barium compounds. Computational (Tinker) and computer graphic (Molden) programs, available free of charge from the web permit, respectively, the calculation of Auger parameter shifts at the electrostatical level of theory and the graphical display of the atomic structures involved. An application of these methods is reported for a BaCl 2 crystal, considering the Auger parameter shift of Ba 2+ ions in different localizations. The effects of distant cations and anions from the ion with the core hole may be easily investigated together with the effect of decreasing the coordination number of an ion because of its localization at the surface of the material. For such an ion, the effect of adsorbed molecules (e.g. water and hydrogen sulfide molecules) on the Auger parameter shift can also be calculated. The initial- and final-state effects determine the localization of a barium compound in the Wagner plot which is a very useful tool in the chemical-state analysis.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of Electron Spectroscopy and Related Phenomena
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
