Physics – Condensed Matter – Superconductivity
Scientific paper
2010-08-05
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.
Choi Hyoung Joon
Jang Hyun Myung
Lee Jung-Hoon
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