Density functional calculations of the structures and binding energies of Ni2Cn clusters (n=7–11)
作者： R. C. Longo , L. J. Gallego
DOI: 10.1063/1.1572453
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摘要: We report the structures and binding energies of Ni2Cn clusters (n=7–11) as computed using density functional ab initio method SIESTA. found no three-dimensional ground state in any case, contrast with behavior M2Cn early 3d transition metals M.
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