Metal-oxygen hybridization and core-level spectra in actinide and rare-earth oxides

0471343 - FZÚ 2017 RIV GB eng J - Journal Article
Kolorenč, Jindřich
Metal-oxygen hybridization and core-level spectra in actinide and rare-earth oxides.
MRS Advances. Roč. 1, č. 44 (2016), s. 3007-3012. ISSN 2059-8521
R&D Projects: GA ČR GC15-05872J
Institutional support: RVO:68378271
Keywords : actinide * lanthanide * oxide * electronic structure * photoemission
Subject RIV: BM - Solid Matter Physics ; Magnetism

A combination of the density-functional theory and the dynamical mean-field theory is employed 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.
Permanent Link: http://hdl.handle.net/11104/0268728