Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition

Abstract

From first principles calculations we find that the nearest and next nearest neighbor superexchange interactions between Fe ions in LaOFeAs are large, antiferromagnetic (AF), and give rise to a frustrated magnetic ground state which consists of two interpenerating AF square sublattices with M(Fe)=0.48${\mu }_B$. The system lowers its energy further by removing the frustration via a structural distortion. These results successfully explain the magnetic and structural phase transitions in LaOFeAs recently observed by neutron scattering. The presence of competing strong antiferromagnetic exchange interactions and the frustrated ground state suggest that magnetism and superconductivity in doped LaOFeAs may be strongly coupled, much like in the high-T${}_c$ cuprates.

4.2 pages, 5 figures, see http://www.ncnr.nist.gov/staff/taner/laofeas for more information

References in corpus (4)

• Magnetic Order versus superconductivity in the Iron-based layered La(O1-xFx)FeAs systems
• LaFeAsO${}_{1-x}$F${}_x$: A low carrier density superconductor near itinerant magnetism
• Competing Orders and Spin-Density-Wave Instability in La(O${}_{1-x}$F${}_x$)FeAs
• Superconductivity at 25 K in hole doped $(L{a}_{1-x}S{r}_x)OFeAs$

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