New Journal of Physics (Jan 2015)
Electronic structure, spin excitations, and orbital ordering in a three-orbital model for iron pnictides
Abstract
A three-orbital itinerant-electron model involving d _xz , d _yz and d _xy Fe 3d orbitals is proposed for iron pnictides towards understanding the ( $\pi ,0$ ) ordered magnetism and magnetic excitations in these materials. It is shown that this model at half filling yields a gapped ( $\pi ,0$ ) magnetic state, and simultaneously reproduces several experimentally observed features such as the electronic structure, spin excitations, as well as the ferro orbital order between the d _xz and d _yz orbitals.
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