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The rich novel materials class of iron based superconductors turned out to exhibit a very complex electronic structure, despite of the simplicity of their crystal structures. For various approaches to study the instability against magnetic order or superconductivity, a real space description of the electronic structure is required. Here, the bonding situation and the orbital structure of the electronic state are analyzed and minimum tight-binding models quantitatively correctly describing the low-energy electronic structure are provided.

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The adiabatic theory of spin-density waves is developed on the basis of spin-density-functional theory. The wave-number-dependent exchange constant matrix is obtained from spin-density-functional calculations with constrained moment directions. The central assumption considers a fast electronic and a slow magnetic time scale, and postulates negligible correlation of the fast motion between different ionic sites. The parameter-free calculated magnon spectra for Fe, Co, and Ni are in excellent agreement with available experimental data. In the case of Fe, they show strong Kohn anomalies. Using Planck statistics at low temperature, the temperature dependence of the magnetization is well described up to half the Curie temperature. It is conjectured that correlated local-moment clusters survive the Curie transition. On this basis, calculated Curie temperatures are obtained within 10% deviation from experiment for Fe and Co, but 30% to low for Ni. ͓S0163-1829͑98͒04425-7͔

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