Johannes Ferber, Kateryna Foyevtsova, Roser Valenti, Harald O. Jeschke
We discuss the role of electronic correlations in the iron-based
superconductor LiFeAs by studying the effects on band structure, mass
enhancements, and Fermi surface in the framework of density functional theory
combined with dynamical mean field theory calculations. We conclude that LiFeAs
shows characteristics of a moderately correlated metal and that the strength of
correlations is mainly controlled by the value of the Hund's rule coupling J.
The hole pockets of the Fermi surface show a distinctive change in form and
size with implications for the nesting properties. Our calculations are in good
agreement with recent angle-resolved photoemission spectroscopy and de Haas-van
Alphen experiments.
View original:
http://arxiv.org/abs/1111.1620
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