Effects of spin-orbit interaction on the magnetic and electronic structure of antiferromagnetic LaFeAsO

Details Effects of spin-orbit interaction on the magnetic and electronic structure of antiferromagnetic LaFeAsO Effects of spin-orbit interaction on the magnetic and electronic structure of antiferromagnetic LaFeAsO

2010-08-05

arxiv.org/abs/1008.1035v1

Physics

Condensed Matter

Superconductivity

4 pages, 3 figures, 1 table

Scientific paper

Magnetic and electronic structures in LaFeAsO in the single-stripe-type antiferromagnetic (AFM) phase are studied using first-principles density-functional calculations including the spin-orbit interaction. We find that the longitudinal ordering (LO) where Fe magnetic moments are parallel or anti-parallel with the in-plane AFM ordering vector, q, is lower in energy than transverse orderings (TOs) where Fe magnetic moments are perpendicular to q, in excellent agreement with recent neutron diffraction experiments. Calculated energy difference between LO and TOs is about 0.2 meV per Fe atom, indicating that LO will prevail at temperature below 2 K. We also find that the spin-orbit interaction splits degenerate bands at k = (1/2)q by about 60 meV, depending on spatial directions of the Fe magnetic moments.

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