Theoretical aspects of the magnetism in the ferromagnetic A Fe sub 2 systems ( A =U, Np, Pu, and Am)

Journal Article · Tue May 01 00:00:00 EDT 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.41.9087· OSTI ID:7156192

Eriksson, O; Johansson, B ^[1]; Brooks, M S.S. ^[2]

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1. Condensed Matter Theory Group, Institute of Physics, University of Uppsala, Box 530, S-75121 Uppsala, Sweden (SE)
2. 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), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 41:13; ISSN 0163-1829; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ACTINIDE ALLOYS
ALLOYS
AMERICIUM ALLOYS
BAND THEORY
COUPLING
FERROMAGNETISM
INTERMEDIATE COUPLING
IRON ALLOYS
IRON BASE ALLOYS
L-S COUPLING
LAVES PHASES
MAGNETISM
NEPTUNIUM ALLOYS
ORIENTATION
PLUTONIUM ALLOYS
SPIN ORIENTATION
URANIUM ALLOYS