2005/03/14 by Jörg Bünemann, Joerg Buenemann, Florian Gebhard +5 · 1 citation
Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Anisotropy #Condensed matter physics #Electronic band structure #Fermi surface #Ferromagnetism #Lattice (music) #Magnetic moment #Materials science #Mathematics #Nickel #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Superconductivity #Surface and Thin Film Phenomena #Topology (electrical circuits) #Wave function #cond-mat.str-el
paper · pdf · doi:10.1007/3-540-27284-4_5
published as In: Frontiers in Magnetic Materials, ed. A. Narlikar, Springer (2005) · 35 pages, 3 figures
arxiv created 2005/03/14 · openalex publication_date 2005/10/17 · arxiv updated 2015/06/25 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
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.