Electronic Structure, Magnetism and Spin-Fluctuations in Fe-As Based Superconductors
- ORNL
The physical properties of the layered iron superconductors and related phases are discussed starting from first principles calculations. The electronic structure is described as that of metallic Fe{sup 2+} square lattice sheets with substantial direct Fe-Fe hopping and interactions with the neighboring anionic pnictogens or chalcogens. The materials have a semi-metallic band structure, and in particular the Fermi surface consists of small cylindrical electron sections centered at the zone corner, and compensating hole sections at the zone boundary. The density of states N(E{sub F}) is high placing the materials near itinerant magnetism in general, and furthermore the small Fermi surface sections are well nested leading to a tendency towards a spin density wave. Comparison of experimental and density functional results imply the presence of exceptionally strong spin fluctuations in these materials. Superconductivity is discussed within this context.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 968279
- Resource Relation:
- Conference: MRS Fall Meeting, Boston, MA, USA, 20081201, 20081205
- Country of Publication:
- United States
- Language:
- English
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