ELECTRONIC STRUCTURE AND MAGNETISM OF SRFEO3 AND SRCOO3

摘要: The electronic-structure calculations of the perovskite oxides ${\mathrm{SrFeO}}_{3}$ and ${\mathrm{SrCoO}}_{3}$ in nonmagnetic magnetic phases are reported here. were performed with use self-consistent linear muffin-tin-orbital method within atomic-sphere approximation. show strong hybridization between Fe Co 3d O 2p orbitals conduction bands found to arise from these hybridized as was predicted by Goodenough through his chemical approach. 2s lie deep below oxygen extends up Fermi level. theoretically moments be good agreement experimental observations.