Abstract
Based on first-principles spin-density functional calculations, using the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA), we investigated the half-metallic ferrimagnetic properties of SnO2 codoped with Mn and Co impurities (Sn0.90(Mn0.05, Co0.05)O2) within the self-interaction-corrected (SIC) local density approximation. Mechanism of hybridization and interaction between magnetic ions in Sn0.90(Mn0.05, Co0.05)O2 is investigated. The band structure model has been used to explain the strong ferrimagnetic interaction observed and the mechanism that stabilizes this state is proposed.
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