The magnetic form factor of iron in SrFe2As2

Abstract

The iron magnetic form factor in SrFe2As2 has been determined by neutron diffraction and by density functional theory (DFT). As noted previously, the magnitude of the calculated moment using DFT is sensitive to the Fe-As distance. However, the shape of the calculated form factor is practically insensitive to the Fe-As distance, and further we show that the form factor closely resembles that of bcc iron, and agrees well with experiment. The spin density exhibits some anisotropy due to geometry and As hybridization.