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- W2012687225 abstract "Following the fact that giant magnetic moments of Fe observed as impurities either in bulk or thin film of cesium, the component as well as the distance dependence of Fe–Cs interactions were studied by density functional theory with local spin density approximation. Modeled ordered alloys of FexCs1−x (x=1.0, 0.75, 0.5, 0.25, 0) are studied by placing Fe and Cs at various lattice sites with different interatomic distances on a body-centered-cubic crystal structure. The total spin moments per Fe atom decrease as the Cs concentration increases in modeled FexCs1−x, which indicates that stronger hybridization between Fe and Cs exists when there are more Cs atoms in the system. The spin moments per Fe atom become larger with an increase in the Fe–Cs distance in Fe0.5Cs0.5. Polarization to the cesium atom is small even for shorter Fe–Cs distances. The interaction between Cs and Fe is analyzed by the change of Fe 3d states in these systems, and is significantly different from that in either single iron or bulk iron." @default.
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- W2012687225 date "2003-05-09" @default.
- W2012687225 modified "2023-10-16" @default.
- W2012687225 title "Interaction between Cs and Fe" @default.
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- W2012687225 doi "https://doi.org/10.1063/1.1555989" @default.
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