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One year after their initial discovery, two schools of thought have crystallized regarding the electronic structure and magnetic properties of ferropnictide systems. One postulates that these are itinerant weakly correlated metallic systems that become magnetic by virtue of spin-Peierls type transition due to near-nesting between the hole and the electron Fermi surface pockets. The other argues these materials are strongly or at least moderately correlated, the electrons are considerably localized and close to a Mott-Hubbard transition, with the local magnetic moments interacting via short-range superexchange. In this paper we argue that neither picture is fully correct. The systems are moderately correlated, but with correlations driven by Hunds rule coupling rather than by the on-site Hubbard repulsion. The iron moments are largely local, driven by Hunds intra-atomic exchange. Superexchange is not operative and the interactions between the Fe moments are considerably long-range and driven mostly by one-electron energies of all occupied states.
By means of first principles calculations we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the $3d$ orbitals of $E_g$ and $T_{
Iron telluride (FeTe), a relative of the iron based high temperature superconductors, displays unusual magnetic order and structural transitions. Here we explore the idea that strong correlations may play an important role in these materials. We argu
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Microscopic origin of the ferromagnetic (FM) exchange coupling in CrCl$_3$ and CrI$_3$, their common aspects and differences, are investigated on the basis of density functional theory combined with realistic modeling approach for the analysis of int
Chiral spin textures at the interface between ferromagnetic and heavy nonmagnetic metals, such as Neel-type domain walls and skyrmions, have been studied intensively because of their great potential for future nanomagnetic devices. The Dyzaloshinskii