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- W1640141588 abstract "The electronic structure and magnetic properties of MnFe3N have been studied using the full potential–linearized augmented plane-wave method and the generalized gradient corrections. The stability of the magnetic ordering is investigated as a function of the unit cell volume. This compound has been reported as ferrimagnetic in the literature. However, the present calculations indicate that a ferromagnetic ordering is the stable phase at low temperatures. With lattice contraction a low-spin phase is identified, where the Fe moment is decreased at face-centered sites. The Fe and Mn moments are strongly correlated in this nitride. A linear relation between the magnetization and the magnetic hyperfine field (Fermi contact term) with respect to changes in the unit cell volume is observed." @default.
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- W1640141588 date "2004-07-26" @default.
- W1640141588 modified "2023-10-16" @default.
- W1640141588 title "Electronic structure and magnetic properties of MnFe3N" @default.
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- W1640141588 doi "https://doi.org/10.1063/1.1763244" @default.
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