Effect of the tetrahedral distortion on the electronic properties of iron-pnictides

Details Effect of the tetrahedral distortion on the electronic properties of iron-pnictides Effect of the tetrahedral distortion on the electronic properties of iron-pnictides

2008-09-30

arxiv.org/abs/0810.0019v2

New J. Phys. 11, 013051 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, including 5 figures. Fig. 5 replaced. Minor changes in the text

Scientific paper

10.1088/1367-2630/11/1/013051

We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the density of states and the band structure are sensitive to the distortion of the tetrahedral environment of the iron atoms. This sensitivity is extremely strong in a two-orbital (d_xz, d_yz) model due to the formation of a flat band around the Fermi level. Inclusion of the d_xy orbital destroys the flat band while keeping a considerable angle dependence in the band structure.

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