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Issue 30, 2010
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Appearance of bulk-like motifs in Si, Ge, and Al clusters

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Abstract

Using a genetic algorithm method to search for low-energy structures, we studied the evolution of structural motifs in Si, Ge, and Al clusters. We were able to observe how bulk-like structural motifs occur in these clusters as the size of the system increases, replacing structural motifs characteristic of clusters at smaller sizes. Si and Ge clusters adopt prolate structures at small sizes. While Si clusters switch to a spherical motif around the size of 30 atoms, Ge clusters exhibit plate-like motifs at the size of 40-atom clusters before transforming into more spherical shapes. For Al clusters, an ordered layered structural motif begins to appear at a relatively small cluster size around 25–27 atoms.

Graphical abstract: Appearance of bulk-like motifs in Si, Ge, and Al clusters

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Publication details

The article was received on 09 Mar 2010, accepted on 29 May 2010 and first published on 15 Jun 2010


Article type: Paper
DOI: 10.1039/C004059B
Citation: Phys. Chem. Chem. Phys., 2010,12, 8551-8556
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    Appearance of bulk-like motifs in Si, Ge, and Al clusters

    W. Lu, C. Z. Wang, L. Zhao, W. Zhang, W. Qin and K. M. Ho, Phys. Chem. Chem. Phys., 2010, 12, 8551
    DOI: 10.1039/C004059B

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