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Metal-Oxygen Hybridization and Core-Level Spectra in Actinide and Rare-Earth Oxides

Published online by Cambridge University Press:  24 May 2016

Jindřich Kolorenč
Jindřich Kolorenč*
Affiliation:
Institute of Physics, Czech Academy of Sciences, Na Slovance 2, 18221 Praha, Czech Republic
*
*(Email: kolorenc@fzu.cz)
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Abstract

We employ a combination of the density-functional theory and the dynamical mean-field theory to study the electronic structure of selected rare-earth sesquioxides and dioxides. We concentrate on the core-level photoemission spectra, in particular, we illustrate how these spectra reflect the integer or fractional filling of the 4f orbitals. We compare the results to our earlier calculations of actinide dioxides and analyze why the core-level spectra of actinide compounds display a substantially reduced sensitivity to the filling of the 5f orbitals.

Keywords

actinidelanthanideoxide

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Type
Articles
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MRS Advances , Volume 1 , Issue 44: Energy and Environment , 2016 , pp. 3007 - 3012
Copyright
Copyright © Materials Research Society 2016 

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References

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