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The structural, electronic and magnetic properties of Aun+1 and AunNi (n = 1–9) clusters have been investigated using an unbiased CALYPSO structure searching method in conjunction with density functional theory. The structural searches show that Ni atom in the lowest energy AunNi cluster favors the most highly coordinated position. The ground state Aun+1 and AunNi clusters possess a planar structure,...
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