Pnicogen-bridged antiferromagnetic superexchange interactions in iron pnictides

Details Pnicogen-bridged antiferromagnetic superexchange interactions in iron pnictides Pnicogen-bridged antiferromagnetic superexchange interactions in iron pnictides

2010-09-03

arxiv.org/abs/1009.0726v1

Journal of Physics and Chemistry of Solids 72 (2011) 319--323

Physics

Condensed Matter

Materials Science

5 pages and 6 figures, to appear in Journal of Physics and Chemistry in Solids

Scientific paper

10.1016/j.jpcs.2010.10.065

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 $\alpha$-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.

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