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The electronic stucture of NpOs(2) is calculated. The neptunium magnetic moments of the compound are shown to be dominated by a large orbital contribution that actually exceeds the spin part. To calculate the orbital contribution to the magnetism, spin-orbit coupling has been included in the Hamiltonian band together with a shift of the single-electron eigenvalues, which takes Hund's second rule into account. It is found that this treatment gives a good description of the magnetic properties, whereas standard methods for calculating magnetic properties fail.

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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. 9095-9100
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