Density Functional Study of LaFeAsO 1 − x F x : A Low Carrier Density Superconductor Near Itinerant Magnetism

Density functional studies of 26 K superconducting LaFeAs(O,F) are reported. We find a low carrier density, high density of states, N(E(F)), and modest phonon frequencies relative to T(c). The high N(E(F)) leads to proximity to itinerant magnetism, with competing ferromagnetic and antiferromagnetic fluctuations and the balance between these controlled by the doping level. Thus LaFeAs(O,F) is in a unique class of high T(c) superconductors: high N(E(F)) ionic metals near magnetism.