English

Tight binding model for iron pnictides

Superconductivity 2009-10-08 v2 Strongly Correlated Electrons

Abstract

We propose a five-band tight-binding model for the Fe-As layers of iron pnictides with the hopping amplitudes calculated within the Slater-Koster framework. The band structure found in DFT, including the orbital content of the bands, is well reproduced using only four fitting parameters to determine all the hopping amplitudes. The model allows to study the changes in the electronic structure caused by a modification of the angle α\alpha formed by the Fe-As bonds and the Fe-plane and recovers the phenomenology previously discussed in the literature. We also find that changes in α\alpha modify the shape and orbital content of the Fermi surface sheets.

Keywords

Cite

@article{arxiv.0907.1259,
  title  = {Tight binding model for iron pnictides},
  author = {M. J. Calderon and B. Valenzuela and E. Bascones},
  journal= {arXiv preprint arXiv:0907.1259},
  year   = {2009}
}

Comments

12 pages, 6 eps figures. Figs 1 and 2 modified, minor changes in the text. A few references added

R2 v1 2026-06-21T13:22:33.618Z