Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2005-03-14
In: Frontiers in Magnetic Materials, ed. A. Narlikar, Springer (2005)
Physics
Condensed Matter
Strongly Correlated Electrons
35 pages, 3 figures
Scientific paper
Ferromagnetic Nickel is the most celebrated iron group metal with pronounced discrepancies between the experimental electronic properties and predictions of density functional theories. In this work, we show in detail that the recently developed multi-band Gutzwiller theory provides a very good description of the quasi-particle band structure of nickel. We obtain the correct exchange splittings and we reproduce the experimental Fermi-surface topology. The correct (111)-direction of the magnetic easy axis and the right order of magnitude of the magnetic anisotropy are found. Our theory also reproduces the experimentally observed change of the Fermi-surface topology when the magnetic moment is oriented along the (001)-axis. In addition to the numerical study, we give an analytical derivation for a much larger class of variational wave-functions than in previous investigations. In particular, we cover cases of superconductivity in multi-band lattice systems.
Buenemann Joerg
Gebhard Florian
Ohm Torsten
Weber Werner
Weiser Stefan
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