Abstract:
Based on first-principle density-functional theory, we have studied carrier doping on the elec-tronic and magnetic structures of SrFeO
2. It was revealed that G-type antiferromagnetic (AFM) ordering could be preserved in the electron doped systems. However, for the hole doped systems, there is a magnetic transition from G-type AFM ordering to A-type AFM one at −0.075 e/f.u. The partially occupied
orbital at Fe site is found to favor the intra-plane ferromagnetic coupling. When Sr is further replaced by La and K, similar results are found for the electron doping and hole doping, respectively.