Relativistic band-structure calculations for electronic properties of actinide dioxides

Maehira, Takahiro*; Hotta, Takashi

Energy band structures of actinide dioxides AnO (An=Th, U, Np, and Pu) are investigated by a relativistic linear augmented-plane-wave method with the exchange-correlation potential in a local density approximation (LDA). It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between actinide 5f and oxygen 2p electrons. By focusing on the crystalline electric field states, we point out the problem in the application of the LDA to AnO.

Language	:	English
Journal	:	Journal of Magnetism and Magnetic Materials
Volume	:	310
Number	:	2, Part1
Pages	:	p.754 - 756
Publication Year/Month	:	2007/03
Meeting title	:	17th International Conference on Magnetism (ICM 2006)
Held date	:	2006/08
Location (city)	:	Kyoto
Location (country)	:	Japan
Patent information	:
PDF	:
Paper URL	:	https://doi.org/10.1016/j.jmmm.2006.10.127
DOI for research data	:
Keywords	:	no keyword
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Press Release	:
Article of JAEA R&D Review	:
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Registration No. : BB20070683
JAEA Abstracts No. : 35001167
Paper Submission No. : 2754

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