Iron-based layered superconductor LaO$_{1-x}$F$_x$FeAs: an antiferromagnetic semimetal

Details Iron-based layered superconductor LaO$_{1-x}$F$_x$FeAs: an antiferromagnetic semimetal Iron-based layered superconductor LaO$_{1-x}$F$_x$FeAs: an antiferromagnetic semimetal

2008-03-22

arxiv.org/abs/0803.3286v1

Phys. Rev. B 78, 033111 (2008)

Physics

Condensed Matter

Materials Science

4 pages, 7 figures

Scientific paper

10.1103/PhysRevB.78.033111

We have studied the newly found superconductor compound LaO$_{1-x}$F$_x$FeAs through the first-principles density functional theory calculations. We find that the parent compound LaOFeAs is a quasi-2-dimensional antiferromgnetic semimetal with most carriers being electrons and with a magnetic moment of $2.3\mu_B$ located around each Fe atom on the Fe-Fe square lattice. Furthermore this is a commensurate antiferromagnetic spin density wave due to the Fermi surface nesting, which is robust against the F-doping. The observed superconduction happens on the Fe-Fe antiferromagnetic layer, suggesting a new superconductivity mechanism, mediated by the spin fluctuations. An abrupt change on the Hall measurement is further predicted for the parent compound LaOFeAs.

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