First-principles study on stability and
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Xiao-Jun Ren; Bao-Xing Li
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Article
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2010
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Elsevier Science
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English
⚖ 422 KB
We have investigated the structures, stabilities and magnetism of zinc-doped Al n (n =1-9) clusters in detail by using first-principles density functional theory. Our calculated results indicate that the ground state structures of the mixed Al n Zn (n = 1-9) clusters doped with one zinc atom can be