Electronic structure, spin excitations, and orbital ordering in a three-orbital model for iron pnictides

TL;DR

This paper introduces a three-orbital model for iron pnictides that captures magnetic order, electronic structure, and orbital ordering, aligning well with experimental observations.

Contribution

A novel three-orbital itinerant-electron model for iron pnictides that accurately reproduces magnetic, electronic, and orbital properties observed experimentally.

Findings

The model predicts a stable gapped () magnetic state at half filling.

It reproduces key experimental features such as electronic structure and spin excitations.

The model demonstrates ferro orbital order between d_{xz} and d_{yz} orbitals.

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 with high degree of robustness and stability, 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.