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In search of d 0 magnetism, the magnetic behavior of SnO 2 with cation substitution from group1A (Li, Na, K) and group 2A (Be, Mg, Ca) elements has been systematically studied using Density Functional Theory (DFT). While an impurity from group 1A elements switches on ferromagnetism at a lower concentration itself, sufficient hole density is required for a group 2A impurity to create a spontaneous spin polarized ground state, a finding that has not been reported in earlier investigations. Our DFT results predict for the first time that impurities from group 2A (Mg, Ca) in SnO 2 can promote room temperature ferromagnetism. Further, the emergence of ferromagnetism due to doping from group 1A elements, which injects three holes per defect, has been mapped successfully onto a modified Hubbard model from the literature. Doping of a single Na atom in the supercell (concentration 6.25 at%) makes the system ferromagnetic, with a magnetic moment close to 3.0 μ B per defect, and a Curie temperature of 815 K, obtained in the mean field approximation. This agrees closely with a model prediction of 750 K. Finally, the triggering of ferromagnetism by an impurity atom from group 2A, which adds two holes per defect in the system, implies that the prescription of three holes per defect given in the literature is not a necessary criterion for hole induced ferromagnetism. Rather, the analysis of the density of states and ferromagnetic coupling indicate that the system needs a critical hole concentration to activate ferromagnetism, by pushing the Fermi level inside the valence band in order to satisfy the Stoner criterion. [ABSTRACT FROM AUTHOR]

Determining the atomic origin of magnetism in non-magnetic elements doped dilute magnetic semiconductors (DMS) is a key issue to understand the room temperature ferromagnetism. Here, using electron magnetic circular dichroism (EMCD), an element-selectivity and high spatial resolution technique, we provide unambiguous experimental evidence: spin polarization of carbon atoms contributes to the local magnetic moments of Al-doped 4H–SiC DMS. The result is further confirmed by first-principle calculations. [ABSTRACT FROM AUTHOR]