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Electronic Structure, Magnetism and Spin-Fluctuations in Fe-As Based Superconductors

Published online by Cambridge University Press:  01 February 2011

David Joseph Singh ,
Mao-Hua Du ,
Lijun Zhang ,
Alaska Subedi  and
Jiming An
David Joseph Singh
Affiliation:
singhdj@ornl.gov, United States
Mao-Hua Du
Affiliation:
mhdu@ornl.gov, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States
Lijun Zhang
Affiliation:
ljzhang@ornl.gov, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States
Alaska Subedi
Affiliation:
subediap@ornl.gov, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States
Jiming An
Affiliation:
anj1@ornl.gov, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States
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Abstract

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 Fe2+ 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(EF) 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.

Keywords

magnetic propertiessuperconductingmetal
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1148: Symposium PP – Solid-State Chemistry of Inorganic Materials VII , 2008 , 1148-PP02-01
Copyright
Copyright © Materials Research Society 2009

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