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- W1969765764 abstract "The spin-polarized linear muffin-tin orbital (LMTO) method is used to calculate the electronic energy bands of γ'-Fe 4 Z (Z = N, C) and to study the hyperfine interactions in Fe4Z. In comparison with the effect of N atoms, the C atom enhances the itineracy of electrons and then in turn prevents the exchange splitting. The C atom brings about a larger charge transfer among the atoms in the unit cell. The results show that the interaction between the Z and the nearest Fe atoms (Fe II ) is stronger than that between the Z and the next-nearest Fe atoms (Fe 1 ). According to the calculated Fermi contact hyperfine magnetic field (H FC ), the proportionality constant between the core contribution of H FC and the local magnetic moment of the atom is evaluated as -13 T/μ B . The calculated values of H FC and the Mossbauer isomer shift (IS) indicate that the Fe 1 -Fe II and Fe-Z interactions strongly depend on the Z atom. The results of H hf and IS are qualitatively in agreement with the experimental results." @default.
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- W1969765764 date "1995-11-01" @default.
- W1969765764 modified "2023-09-22" @default.
- W1969765764 title "Calculated Electronic Structure and Hyperfine Interactions on γ′Fe4Z (Z N, C)" @default.
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- W1969765764 doi "https://doi.org/10.1002/pssb.2221920110" @default.
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