THEORY FOR THE XPS OF ACTINIDES

Journal Article · Thu Aug 01 04:00:00 EDT 2013 · Topics in Catalysis, 56(12):1121-1128

DOI:https://doi.org/10.1007/s11244-013-0078-2· OSTI ID:1094891

Bagus, Paul S.; Ilton, Eugene S.

Two aspects of the electronic structure of actinide oxides that significantly affect the XPS spectra are described; these aspects are also important for the materials properties of the oxides. The two aspects considered are: (1) The spin-orbit coupling of the open 5f shell electrons in actinide cations and how this coupling affects the electronic structure. And, (2) the covalent character of the metal oxygen interaction in actinide compounds. Because of this covalent character, there are strong departures from the nominal oxidation states that are significantly larger in core-hole states than in the ground state. The consequences for the XPS of this covalent character are examined. A proper understanding of the way in which they influence the XPS makes it possible to use the XPS to correctly characterize the electronic structure of the oxides.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1094891
• Report Number(s): PNNL-SA-96578; 36796; KC0302060
• Journal Information: Topics in Catalysis, 56(12):1121-1128, Journal Name: Topics in Catalysis, 56(12):1121-1128
• Country of Publication: United States
• Language: English

Related Subjects

Environmental Molecular Sciences Laboratory