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