Theoretical aspects of the magnetism in the ferromagnetic A Fe sub 2 systems ( A =U, Np, Pu, and Am)
- Condensed Matter Theory Group, Institute of Physics, University of Uppsala, Box 530, S-75121 Uppsala, Sweden (SE)
- Commission of the European Communities, European Institute for Transuranium Elements, Postfach 2340, D-7500 Karlsruhe (Federal Republic of Germany)
We report on spin-polarized energy-band calculations for the cubic Laves-phase systems UFe{sub 2}, NpFe{sub 2}, PuFe{sub 2}, and AmFe{sub 2}. 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 5{ital f} magnetic quantum numbers. The spin-orbit interaction was also included in the band Hamiltonian. Thus 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{sub 2}, the 5{ital f} electrons were treated as core electrons. The magnetism was here found to behave very much like the magnetism of similar rare-earth Laves-phase compounds.
- OSTI ID:
- 7156192
- Journal Information:
- Physical Review, B: Condensed Matter; (USA), Vol. 41:13; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
AMERICIUM ALLOYS
FERROMAGNETISM
IRON BASE ALLOYS
NEPTUNIUM ALLOYS
PLUTONIUM ALLOYS
URANIUM ALLOYS
BAND THEORY
L-S COUPLING
LAVES PHASES
SPIN ORIENTATION
ACTINIDE ALLOYS
ALLOYS
COUPLING
INTERMEDIATE COUPLING
IRON ALLOYS
MAGNETISM
ORIENTATION
360104* - Metals & Alloys- Physical Properties