Abstract
ABSTRACTResults of first-principles supercell calculations for Gd impurities, with and without O-impurities in the same cell are presented. The possibility of colossal magnetic moments, as reported by Dhar et al., [Phys. Rev. Lett. 94, 037205 (2005)] is discussed in view of the results. Particular attention is paid to the size of the conduction band spin splitting, induced by Gd. It is argued that O plays a more active role than merely providing the electrons leading to the magnetic moment. Estimates are made of the splitting of the conduction band required to explain the occurrence of colossal magnetic moments.
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