Ab-initio Calculation of Half-Metal Ferrimagnetic Sn0.9Mn0.05Co0.05O2

作者：Mounkachi O; Salmani E; El Moussaoui H; Hamedoun M^*; Ez Zahraouy H; Benyoussef A

来源：Journal of Superconductivity and Novel Magnetism, 2012, 25(6): 2069-2074.

DOI：10.1007/s10948-012-1585-2

• Ab-initio calculation
• KKR-CPA
• SnO2
• Diluted magnetic semiconductors
• Half-metallic ferrimagnetism

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 (Sn-0.90(Mn-0.05, Co-0.05)O-2) within the self-interaction-corrected (SIC) local density approximation. Mechanism of hybridization and interaction between magnetic ions in Sn-0.90(Mn-0.05, Co-0.05)O-2 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.

• 出版日期2012-8