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- W2010997652 abstract "An understanding of the magnetic properties of the Fe4 − yAlyCx carbide phase is important for cheap magnet production. A quantum-mechanical investigation of the Fe-Al-C electronic structure has been carried out using the Multiple-Scattering Waves method (SW-Xα). Two clusters of the unit cell were chosen in its para- and ferromagnetic chemical arrangements. The total and atomic partial densities-of-states (DOS) were analyzed. Valence electron density maps have been plotted in the following crystallographic planes: (100), (110), (111). The strength of p-d bond hybridization resulting from the replacement of Fe atoms by Al atoms was found from the density distributions." @default.
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- W2010997652 date "1994-02-01" @default.
- W2010997652 modified "2023-10-18" @default.
- W2010997652 title "Computer simulation of the electronic structure of the Fe4 − yAlyC carbide phase in its para- and ferromagnetic states" @default.
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- W2010997652 doi "https://doi.org/10.1016/0022-3697(94)90078-7" @default.
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