Multiband Hubbard Models and the Transition Metals

Details Multiband Hubbard Models and the Transition Metals Multiband Hubbard Models and the Transition Metals

2009-06-30

arxiv.org/abs/0906.5459v1

Edited Version was published in Handbook of Magnetism, Eds. H. Kronmueller and S. Parkin, Vol.1,29 (Wiley, 2007)

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

Correlation computations on multiband Hubbard Hamiltonians are presented. It is shown why the proper degeneracy is of vital importance and that the atomic exchange interaction plays a particular role. The different methods are connected, and their results are discussed. Many experimental properties for the elemental solids can be explained by single closely related sets of parameters each. There is an exception, Tc of Fe. Here, a novel feature of longer-range interactions enters, as demonstrated on ab-initio results of the Local Ansatz for Fe. Connections are made to LSDA-calculations; and their seeming successes and deficiencies are explained.

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