Open AccessHartree–Fock study of orbital magnetic moments in 3 d and 5 f magnets and X‐ray magnetic circular dichroism
Author(s) -
Jo T.
Publication year - 2001
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s090904950001654x
Subject(s) - magnetic circular dichroism , magnetic moment , condensed matter physics , ferromagnetism , chemistry , x ray magnetic circular dichroism , spin (aerodynamics) , superlattice , physics , atomic physics , quantum mechanics , spectral line , thermodynamics
The spin ( M s ) and orbital magnetic moments ( M o ) of the uranium 5 f state in the ferromagnetic compound uranium sulfide (US) and of the cobalt 3 d state in various transition‐metal superlattices are calculated on the basis of a tight‐binding model, in which the intra‐atomic f – f or d – d multipole interaction is taken into account using the Hartree–Fock (HF) approximation. The parameters in the model are determined on the basis of available first‐principles calculations. For US, the calculated ratio M o / M s and magnetic circular dichroism spectrum for U M 4,5 absorption are in good agreement with the experimental results. Inclusion of the expectation values of the spin‐off‐diagonal operators in addition to the number operators in the 5 f state is found to be crucially important when describing the 5 f magnetic state. A difference in enhancement of M o of the Co atom between the Co/Pd and Co/Cu superlattices is discussed on the basis of a semi‐quantitative calculation, assuming ferromagnetism.