Orbital contribution to the magnetic properties of nanowires : is the orbital polarization ansatz justified?

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...

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Bibliographic Details
Published in:The European physical journal. B, Condensed matter physics Condensed matter physics, 2007-01, Vol.55 (1), p.23-27
Main Authors: DESJONQUERES, M. C, BARRETEAU, C, AUTES, G, SPANJAARD, D
Format: Article
Language:English
Subjects:
Condensed Matter
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Exact sciences and technology
Magnetic properties and materials
Magnetic properties of nanostructures
Materials Science
Physics
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Summary: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.
ISSN:1434-6028
1434-6036
DOI:10.1140/epjb/e2007-00043-5