Dresden 2011 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 20: Electron Theory of Magnetism

MA 20.2: Vortrag

Dienstag, 15. März 2011, 11:15–11:30, HSZ 103

Magnetic interactions of iron — •Frank Dietermann and Manfred Fähnle — Max-Planck Institut für Metallforschung, Stuttgart

We investigate the adiabatic magnetic energy landscape of iron in the bcc and fcc crystal structure by constrained spin density functional theory. We use this data, to fit the interaction coefficients of an extended Heisenberg model and of a Spin-Cluster-Expansion [1] and compare the two models. We also discuss the influence of the type of reference configurations considered - e.g. spin spirals with constant opening angle, spin spirals with various opening angles or supercells.

[1]R.Drautz and M.Fähnle, Phys.Rev. B 69, 103303 (2004)