Journal
EUROPEAN PHYSICAL JOURNAL B
Volume 55, Issue 1, Pages 23-27Publisher
SPRINGER
DOI: 10.1140/epjb/e2007-00043-5
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We show that considerable orbital magnetic moments and magneto-crystalline anisotropy energies are obtained for a Fe monatomic wire described in a tight-binding method with intra-atomic electronic interactions treated in a full Hartree Fock (HF) decoupling scheme. Even though the use of the orbital polarization ansatz with simplified Hamiltonians leads to fairly good results when the spin magnetization is saturated this is not the case of unsaturated systems. We conclude that the full HF scheme is necessary to investigate low dimensional systems.
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