A new family of iron pnictides: BaFeAs2 and BaFeSb2

Details A new family of iron pnictides: BaFeAs2 and BaFeSb2 A new family of iron pnictides: BaFeAs2 and BaFeSb2

2008-08-30

arxiv.org/abs/0809.0041v2

Physics

Condensed Matter

Superconductivity

4.2 pages, 4 figures

Scientific paper

We investigate the structural, electronic, and magnetic properties of the hypothetical compound BaFePn2 (Pn = As and Sb), which is isostructural to the parent compound of the high temperature superconductor LaFeAsO1-xFx. Using density functional theory, we show that the Fermi surface, electronic structure and the spin density wave instability of BaFePn2 are very similar to the Fe based superconductors. Additionally, there are very dispersive metallic bands of a spacer Pn layer, which are almost decoupled from FePn layer. Our results show that experimental study of BaFePn2 can test the role of charge and polarization fluctuation, importance of two dimensionality in mechanism of superconductivity.

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