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- W2097339250 abstract "The bonding of C to Fe and Ni in Fe50Ni50(L10) alloy with a stacking fault (SF) is analyzed using density functional calculations (DFT). The changes in the electronic structure of the bulk alloy upon SF introduction and after C absorption is addressed. C locates in an octahedral site with Ni atoms in its base and capped with Fe atoms. The Fe–Ni and Ni–Ni bonding decrease while the Fe–Fe bonding increases when the SF is introduced. The effect of C is to reduce the Fe–Ni and Ni–Ni overlap population (OP) up to 75% of its original value, while the Fe–Fe OP only changes by 3.6%. Both Fe and Ni bond to C atom at a distance of 1.80 Å, which is close to that in Fe and Ni carbides metallic, clusters or C as a impurity at grain boundaries or dislocations. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)" @default.
- W2097339250 created "2016-06-24" @default.
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- W2097339250 date "2008-09-12" @default.
- W2097339250 modified "2023-09-23" @default.
- W2097339250 title "The effect of carbon on the electronic structure of FeNi alloys with a stacking fault" @default.
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- W2097339250 doi "https://doi.org/10.1002/pssb.200844199" @default.
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