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A report on spin-polarised energy-band calculations for the cubic Laves-phase systems UFe(2), NpFe(2), PuFe(2) and AmFe(2) is presented. The calculations were performed with the local-density approximation for the exchange and correlation potential, together with a term that shifts the one-electron eigenvalues and takes into account the different interelectronic repulsions for electrons with different 5f magnetic quantum numbers. The spin-orbit interaction was also included in the Hamiltonian band. The parameter-free calculations incorporate Hund's first, second and third rules. The magnetism in the first three compounds was found to be dominated by a large orbital contribution coupled antiparallel to the spin moment. In the calculations for AmFe(2), the 5f electrons were treated as core electrons. The magnetism here was found to behave very much like the magnetism of similar rare-earth Laves-phase compounds.

Additional information

Authors: ERIKSSON O, University of Uppsala, Institute of Physics, Uppsala (SE);JOHANSSON B, University of Uppsala, Institute of Physics, Uppsala (SE);BROOKS M S S, JRC Karlsruhe (DE)
Bibliographic Reference: Article: Physical Review B, Vol. 41 (1990) No. 13, pp. 9087-9094
Record Number: 199011865 / Last updated on: 1994-12-02
Original language: en
Available languages: en
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