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- W167010061 abstract "The structure and magnetic properties of cobalt doped Sin (n=2–14) clusters have been systematically studied using density functional theory (DFT). For each cluster size, extensive search of the lowest-energy structure has been conducted by considering a number of structural isomers. The equilibrium site of the Co atom in the ground-state structures of SinCo clusters gradually moves from convex, surface, to interior sites as the number of Si atom increases from 2 to 14. Starting from Si10Co, Co atom is fully encapsulated by the Si outer cages. The magnetic moment of Co atom in SinCo clusters is completely quenched at n=7, due to charge transfer and strong hybridization between 4s and 3d states of Co and 3s and 3p states of Si." @default.
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- W167010061 date "2007-07-01" @default.
- W167010061 modified "2023-10-17" @default.
- W167010061 title "Structure and magnetic properties of cobalt doped () clusters" @default.
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- W167010061 doi "https://doi.org/10.1016/j.physleta.2007.01.093" @default.
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