English

Effective tight-binding model for the iron vacancy ordered A$_{y}$Fe$%_{1.6}$Se$_{2}$

Strongly Correlated Electrons 2011-11-28 v3 Superconductivity

Abstract

We investigate the electronic structure of the ternary iron selenide Ky_{y}% Fe1.6_{1.6}Se2_{2} by considering the spatial symmetry of the 5\sqrt{5}% \times \sqrt{5} vacancy ordered structure. Based on three orbitals of % t_{2g}, which are believed to play major physics in iron-based superconductors, an effective two-dimensional tight binding Hamiltonian is constructed with the vacancy ordered structure being explicitly included. It is shown that the constructed band model, when combined with generalized Hubbard interactions, yields a spin susceptibility which exhibits both the block-checkerboard antiferromagnetism instability and the stripe antiferromagnetism instability. In particular, for large Hund's rule couplings, the block-checkerboard antiferromagnetism wins over the stripe antiferromagnetism, in agreement with the observation in experiments. We argue that such a model with correct symmetry and Fermi surface structures should be the starting point to model Ky_{y}Fe1.6_{1.6}Se2_{2}. The spin fluctuations at q\mathbf{q}=(π,π\pi ,\pi ) suggest that interblock fluctuations of spins might play an important role in the mechanism of superconductivity occurring in this system.

Keywords

Cite

@article{arxiv.1108.4787,
  title  = {Effective tight-binding model for the iron vacancy ordered A$_{y}$Fe$%_{1.6}$Se$_{2}$},
  author = {Shin-Ming Huang and Chung-Yu Mou},
  journal= {arXiv preprint arXiv:1108.4787},
  year   = {2011}
}

Comments

9 pages, 4 figures

R2 v1 2026-06-21T18:54:32.662Z