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- W2090959926 abstract "The electronic and magnetic properties of double-impurities-doped TiO2 (rutile) are explored using first-principles calculations within the generalized gradient approximation to examine their potential use as spintronic system. Calculations are performed on all possible sets of double impurities (M1 and M2) from M1=Cr, Mn, Fe, Co, and Ni, and M2=Mo, W, and Re. The results show the overlapping of the highest occupied impurity states with the bottom of the conduction band of the host system and the half-metallic nature in Fe- and W-doped TiO2, making them suitable as spintronic systems. These impurities preferentially substitute adjacent Ti sites and form a stable magnetic complex with oxygen atoms." @default.
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- W2090959926 date "2006-04-15" @default.
- W2090959926 modified "2023-09-26" @default.
- W2090959926 title "Electronic and magnetic properties of double-impurities-doped TiO2 (rutile): First-principles calculations" @default.
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- W2090959926 doi "https://doi.org/10.1063/1.2165108" @default.
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