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- W2012162227 abstract "The surface properties of Fe-rich ferromagnetic Fe-Cr alloys are investigated using a first-principles quantum-mechanical method. In dilute alloys, the surfaces are dominated by Fe, whereas the Cr-containing surfaces become favorable when the bulk Cr concentration exceeds the limit of ∼ 10 atomic per cent. The abrupt change in the surface behavior is the consequence of complex competing magneto-chemical interactions between the alloying atoms. Considering the quantities of various features: equilibrium surface profiles, chemical potentials, segregation energies, surface energies, magnetic moments, mixing energies and pair interactions, within a wider range of bulk and surface concentrations enables us to build a comprehensive picture of the physics of Fe-Cr surfaces. Using the present achievements many previously controversial results can now be merged into a consistent model of Fe-rich Fe-Cr alloys." @default.
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- W2012162227 date "2011-06-06" @default.
- W2012162227 modified "2023-10-14" @default.
- W2012162227 title "First-principles atomistic study of surfaces of Fe-rich Fe–Cr" @default.
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- W2012162227 doi "https://doi.org/10.1088/0953-8984/23/26/265004" @default.
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