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We have studied structural, electronic, and magnetic properties of Ni n M (M=Hf, Ta, W) clusters with n=1–12 using spin density functional theory. The calculated results find that a single impurity M (M=Hf, Ta, W) enhances the binding energy of the nickel cluster, reduces their magnetic moment and decreases the ionization potential. Hf and Ta occupies the substitutional vertex site accompanied...
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