Antiferromagnetic superexchange interactions in LaOFeAs

Abstract

From first-principles calculations, we have studied the electronic and magnetic structures of the ground state of LaOFeAs. The Fe spins are found to be collinear antiferromagnetic ordered, resulting from the interplay between the strong nearest and next-nearest neighbor superexchange antiferromagnetic interactions. The structure transition observed by neutron scattering is shown to be magnetically driven. Our study suggests that the antiferromagnetic fluctuation plays an important role in the Fe-based superconductors. This sheds light on the understanding of the pairing mechanism in these materials.

5 pages and 7 figures; add the appendix to explain how to determine the nearest and next-nearest Fe-Fe exchange interactions J1 and J2. The overcounting on J1 and J2 in previous version in 2x2 Fe-Fe unit cell with the periodic boundary conditions has been corrected. It is found that J1 is close to J2

References in corpus (15)

• Magnetic Order versus superconductivity in the Iron-based layered La(O1-xFx)FeAs systems
• Superconductivity at 43 K in Samarium-arsenide Oxides $SmFeAs{O}_{1-x}{F}_x$
• LaFeAsO${}_{1-x}$F${}_x$: A low carrier density superconductor near itinerant magnetism
• Superconductivity at 41 K and its competition with spin-density-wave instability in layered CeO${}_{1-x}$F${}_x$FeAs
• Strong Correlations and Magnetic Frustration in the High Tc Iron Pnictides
• Competing Orders and Spin-Density-Wave Instability in La(O${}_{1-x}$F${}_x$)FeAs
• Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition
• Correlated electronic structure of LaOFeAs
• Superconductivity at 52 K in iron-based F-doped layered quaternary compound Pr[O1-xFx]FeAs
• The challenge of unravelling magnetic properties in LaFeAsO
• Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaOFeAs
• Proximity of antiferromagnetism and superconductivity in LaO${}_{1-x}$F${}_x$FeAs: effective Hamiltonian from ab initio studies
• Doping-dependent Phase Diagram of LaO{\it M}As ({\it M}=V--Cu) and Electron-type Superconductivity near Ferromagnetic Instability
• Iron-based layered superconductor LaO${}_{1-x}$F${}_x$FeAs: an antiferromagnetic semimetal
• Magnetic Excitations in the High Tc Iron Pnictides

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