Pnicogen-bridged antiferromagnetic superexchange interactions in iron pnictides Original Research Article

The first-principles electronic structure calculations made substantial contribution to study of high T c iron-pnictide superconductors. By the calculations, LaFeAsO was first predicted to be an antiferromagnetic semimetal, and the novel bi-collinear antiferromagnetic order was predicted for α-FeTeα-FeTe. Moreover, based on the calculations the underlying mechanism was proposed to be Arsenic-bridged antiferromagnetic superexchange interaction between the next-nearest neighbor Fe moments. In this article, this physical picture is further presented and discussed in association with the elaborate first-principles calculations on LaFePO. The further discussion of origin of the magnetism in iron-pnictides and in connection with superconductivity is presented as well.