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- W2078280830 abstract "First-principles calculations were performed to study the structural, electronic, and magnetic properties of bcc Fe with C impurities alloyed with 2, 3, and 6 at.% of Mn. Our results reveal that both manganese concentration and carbon location with respect to Mn affect the Fe–Mn magnetic interaction. With an increase in Mn concentration in bcc Fe–Mn alloy, the local magnetic moment of manganese changes sharply from − 2 to 1 µB near 3 at.% Mn, while carbon stabilizes the local ferromagnetic interaction between the nearest Mn atom and the Fe matrix. We demonstrate that the Mn–C interaction is attractive and promotes carbon trapping with a low energy defect configuration. Our results indicate that the Mn–C binding energy strongly depends on the magnetism and the formation of MnxC clusters is predicted." @default.
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- W2078280830 date "2011-07-27" @default.
- W2078280830 modified "2023-10-14" @default.
- W2078280830 title "The effect of carbon distribution on the manganese magnetic moment in bcc Fe–Mn alloy" @default.
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- W2078280830 doi "https://doi.org/10.1088/0953-8984/23/32/326003" @default.
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