Theory of x-ray-absorption spectra in PrO sub 2 and some other rare-earth compounds
- Department of Physics, Faculty of Science, Tohoku University, Sendai 980, Japan (JP)
- Department of Chemical Physics, University of Groningen, Nijenborgh 16, 9747 AG Groningen, (The Netherlands)
We analyze rare-earth 3{ital d}-core x-ray-absorption spectra (3{ital d} XAS) in PrO{sub 2}, as well as in CeO{sub 2}, using the impurity Anderson model. It is shown that the interplay between the atomic multiplet coupling and the solid-state hybridization between rare-earth 4{ital f} and oxygen 2{ital p} states is essential in determining the spectral shape. The calculated spectra are in fair agreement with experimental data which supports the theory that there is a strong mixing between 4{ital f}{sup 1} and 4{ital f}{sup 2}{ital v} in the ground state of PrO{sub 2}, where {ital v} denotes a hole in the oxygen 2{ital p} valence band. A theoretical prediction of Pr 4{ital d} XAS of PrO{sub 2} is also given. Because it contains much structure, experimental determination of this spectrum would be very valuable for the study of mixed-valence compounds.
- OSTI ID:
- 6072420
- Journal Information:
- Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 43:1; ISSN PRBMD; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ABSORPTION SPECTRA
CERIUM COMPOUNDS
CERIUM OXIDES
CHALCOGENIDES
ENERGY LEVELS
F STATES
HAMILTONIANS
HYBRIDIZATION
MATHEMATICAL OPERATORS
OXIDES
OXYGEN COMPOUNDS
P STATES
PRASEODYMIUM COMPOUNDS
PRASEODYMIUM OXIDES
QUANTUM OPERATORS
RARE EARTH COMPOUNDS
SPECTRA
X-RAY SPECTRA