Gutzwiller theory of band magnetism in LaOFeAs
Tobias Schickling, Florian Gebhard, J\"org B\"unemann, Lilia Boeri,, Ole K. Andersen, Werner Weber
TL;DR
This paper applies Gutzwiller variational theory to LaOFeAs, modeling its electronic structure and magnetism, successfully reproducing experimental magnetic moments and identifying a stripe spin-density wave phase.
Contribution
It introduces a Gutzwiller-based approach to study band magnetism in LaOFeAs, incorporating a detailed Hubbard model with Wannier orbitals and reproducing experimental magnetic properties.
Findings
Reproduces small magnetic moments observed experimentally.
Identifies a stripe spin-density wave as the magnetic phase.
Maps the ground-state phase diagram in (U,J) parameter space.
Abstract
We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle bands of LaOFeAs. The Fe3d--As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band Hubbard model. The full atomic interaction between the electrons in the iron orbitals is parameterized by the Hubbard interaction U and an average Hund's-rule interaction J. We reproduce the experimentally observed small ordered magnetic moment over a large region of (U,J) parameter space. The magnetically ordered phase is a stripe spin-density wave of quasi-particles.
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