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Phys. Rev. Lett. 100, 237003 (2008) [4 pages]

Density Functional Study of LaFeAsO1-xFx: A Low Carrier Density Superconductor Near Itinerant Magnetism

D. J. Singh and M.-H. Du
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6114, USA
Received 4 March 2008; published 12 June 2008

Density functional studies of 26 K superconducting LaFeAs(O,F) are reported. We find a low carrier density, high density of states, N(EF), and modest phonon frequencies relative to Tc. The high N(EF) 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 Tc superconductors: high N(EF) ionic metals near magnetism.

©2008 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.100.237003
DOI: 10.1103/PhysRevLett.100.237003
PACS: 74.25.Jb; 71.18.+y; 74.25.Kc; 74.70.Dd
  • 74.25.Jb
    Electronic structure of superconductors
  • 71.18.+y
    Fermi surface: calculations and measurements; effective mass, -g factor
  • 74.25.Kc
    Phonons in superconductors
  • 74.70.Dd
    Superconducting ternary, quaternary and multinary compounds
  • YEAR: 2008

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