Correlation effects in the electronic structure and photoemission spectra of mixed-valence cerium compounds
The electronic ground states and core-hole and valence-hole excited states of so-called tetravalent and mixed-valence Ce compounds are studied taking into account strong correlations among 4f electrons. By an analysis of the core-level photoemission satellites, CeO/sub 2/, which has been thought to be tetravalent, is identified as a mixed-valence system with approx.0.6 4f electron, where the magnetic moment of the 4f/sup 1/ configuration is quenched via singlet coupling between the 4f electron and the O 2p hole. 4f-derived satellite features in the resonant photoemission spectrum of CeO/sub 2/ are calculated, which qualitatively explain resonant photoemission spectra of tetravalent Ce intermetallic compounds. The core-level and 4f-derived photoemission spectra of mixed-valence CeN are also studied by considering only the 4f-electron--N 2p-hole coupling as in CeO/sub 2/ and neglecting the 4f-5d mixing. It is also suggested that for the ..cap alpha.. phase of Ce metal the absence of a localized magnetic moment, volume collapse, and a 4f/sup 0/ signal in the core-level photoemission spectra are explained by this type of configuration-mixing description.
- Research Organization:
- Laboratorium fuer Festkoerperphysik, Eidgenoessische Technische Hochschule, p Hoenggerberg, CH-8093 Zuerich, Switzerland and National Institute for Research in Inorganic Materials, Sakura-mura, Niihari-gun, Ibaraki 305, Japan
- OSTI ID:
- 5434468
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 28:8; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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