Gutzwiller density functional calculations of the electronic structure of FeAs-based superconductors: Evidence for a three-dimensional Fermi surface

Details Gutzwiller density functional calculations of the electronic structure of FeAs-based superconductors: Evidence for a three-dimensional Fermi surface Gutzwiller density functional calculations of the electronic structure of FeAs-based superconductors: Evidence for a three-dimensional Fermi surface

2009-03-08

arxiv.org/abs/0903.1385v2

PHys. Rev. Lett. 104, 047002 (2010)

Physics

Condensed Matter

Superconductivity

4 pages, 4 figures, 1 table

Scientific paper

10.1103/PhysRevLett.104.047002

The electronic structures of FeAs-compounds strongly depend on the Fe-As bonding, which can not be described successfully by the local density approximation (LDA). Treating the multi-orbital fluctuations from $ab$-$initio$ by LDA+Gutzwiller method, we are now able to predict the correct Fe-As bond-length, and find that Fe-As bonding-strength is 30% weaker, which will explain the observed "soft phonon". The bands are narrowed by a factor of 2, and the $d_{3z^2-r^2}$ orbital is pushed up to cross the Fermi level, forming 3-dimensional Fermi surfaces, which suppress the anisotropy and the ($\pi,\pi$) nesting. The inter-orbital Hund's coupling $J$ rather than $U$ plays crucial roles to obtain these results.

Affiliated with

Also associated with

No associations

Rating

Gutzwiller density functional calculations of the electronic structure of FeAs-based superconductors: Evidence for a three-dimensional Fermi surface does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Gutzwiller density functional calculations of the electronic structure of FeAs-based superconductors: Evidence for a three-dimensional Fermi surface, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Gutzwiller density functional calculations of the electronic structure of FeAs-based superconductors: Evidence for a three-dimensional Fermi surface will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-496399