Title: Magnetic Properties of Plutonium and Pu Compounds
Authors: HAVELA L.SHICK A. B.GOUDER Thomas
Citation: JOURNAL OF APPLIED PHYSICS vol. 105 p. 07E130
Publisher: AMER INST PHYSICS
Publication Year: 2009
JRC N°: JRC52477
ISSN: 0021-8979
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC52477
DOI: 10.1063/1.3062946
Type: Articles in Journals
Abstract: Occurrence of magnetic order on the basis of plutonium can be captured by LDA+U calculations. Systematic investigation of diverse Pu compounds reveals that the 5f occupancy plays a key role. If the 5f states are populated by more than approximately 5.3 electrons, the Pu magnetism vanishes. For comparison with valence-band photoemission spectra, the Hubbard I method was used. It shows consistently higher 5f5 final-state multiplet originating from the 5f6 admixture in the ground state for those compounds which are nonmagnetic. The 5f occupancy can reach 5.6¿5.7 for Pu monochalcogenides.
JRC Institute:Institute for Transuranium Elements

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