Magnetism of Small-sized Al_n Clusters(n=2～7)

The structural properties and magnetism of Aln small clusters(n=2~7) were studied by employing the first-principles calculations based on the spin-polarized density functional theory.The calculation results showed that:the binding energies increased with the number of atoms in the Alnclusters,although Al was a simple metal,the small-sized Aln clusters(n=2~7) could exhibit magnetism,with the magnetic moments changing between 1 μB and 2 μB.From the plot of energy levels,the magnetic moments of spin-polarized Aln clusters were discussed.Furthermore,the magnetic moment,the binding energy,the first and second differences of binding energies versus the number of atoms in the clusters were analyzed.The electronic structure and charge density of the most stable cluster Al5 were also discussed.