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- W2024819925 abstract "The structural stability and magnetic properties of the icosahedral Ni13, Ni13+1 and Ni13−1 clusters have been obtained by utilizing all-electron density functional theory with the generalized gradient approximations for the exchange-correlation energy. The calculated results show that the ground states of neutral and charged clusters all favour a D3d structure, a distorted icosahedron, due to the Jahn–Teller effect. The radial distortions caused by doping one electron and by doping one hole are opposite to each other. Doping one electron will result in a 1/2 decrease and doping one hole will result in a 1/2 increase of the total spin. Both increasing interatomic spacing and decreasing coordination will lead to an enhancement of the spin magnetic moments for Ni13 clusters." @default.
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- W2024819925 date "2007-12-01" @default.
- W2024819925 modified "2023-09-23" @default.
- W2024819925 title "Effects of charge on the structures and spin moments of Ni 13 cluster" @default.
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- W2024819925 doi "https://doi.org/10.1088/1009-1963/16/12/014" @default.
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