Multi-orbital quantum antiferromagnetism in iron pnictides --- effective spin couplings and quantum corrections to sublattice magnetization

preprint2015arXivOpen access

Abstract

Towards understanding the multi-orbital quantum antiferromagnetism in iron pnictides, effective spin couplings and spin fluctuation induced quantum corrections to sublattice magnetization are obtained in the (π,0)(π,0) AF state of a realistic three band interacting electron model involving xzxz, yzyz, and xyxy Fe 3d orbitals. The xyxy orbital is found to be mainly responsible for the generation of strong ferromagnetic spin coupling in the bb direction, which is critically important to fully account for the spin wave dispersion as measured in inelastic neutron scattering experiments. The ferromagnetic spin coupling is strongly suppressed as the xyxy band approaches half filling, and is ascribed to particle-hole exchange in the partially filled xyxy band. The strongest AF spin coupling in the aa direction is found to be in the orbital off diagonal sector involving the xzxz and xyxy orbitals. First order quantum corrections to sublattice magnetization are evaluated for the three orbitals, and yield a significant 37%37\% average reduction from the Hartree-Fock value.

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