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Structures and stabilities of , , and clusters
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10.1063/1.3075834
/content/aip/journal/jcp/130/6/10.1063/1.3075834
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/6/10.1063/1.3075834
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

GM structures and some low-lying isomers of neutral clusters with . The numbers below the isomers give the total energy differences (in eV) with respect to the GM, and cluster sizes increase from top to bottom.

Image of FIG. 2.
FIG. 2.

GM structures of and cluster ions with . Only those structures which substantially differ from the corresponding geometries are shown. Below each structure, we give the number of atoms and the cluster charge.

Image of FIG. 3.
FIG. 3.

GM structures of aluminum clusters with . Cluster sizes increase from top to bottom, and the numbers below the isomers give the total energy differences (in eV) with respect to the GM. Top row: neutral clusters; intermediate row: cations; and bottom row: anions.

Image of FIG. 4.
FIG. 4.

GM structures of aluminum clusters with . The rest of the caption is the same as in Fig. 3.

Image of FIG. 5.
FIG. 5.

GM structures of aluminum clusters with . The rest of the caption is the same as in Fig. 3.

Image of FIG. 6.
FIG. 6.

GM structures of aluminum clusters with . The rest of the caption is the same as in Fig. 3.

Image of FIG. 7.
FIG. 7.

The top panel shows the cohesive energies (left side) and second energy differences (right side) for (black points), (red squares), and (green diamonds) clusters. The results for cations and anions have been vertically shifted in order to help visualization. The bottom panel shows the adiabatic IEs (left side) and adiabatic EAs (right side); see text for a definition of these quantities.

Image of FIG. 8.
FIG. 8.

The filled black points show the deviation of the experimental collision cross sections of cluster ions from the average behavior obtained through a power-law regression . The results of the regression are and , when the cross sections are expressed in . Filled red squares show the corresponding theoretical results, for which the regression parameters are and . For some sizes, there are two nearly degenerate isomers which have significantly different collision cross sections, and both are candidate global minima according to the expected DFT accuracy. The green stars show the values for the nearly degenerate isomers.

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/content/aip/journal/jcp/130/6/10.1063/1.3075834
2009-02-12
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structures and stabilities of Aln+, Aln, and Aln−(n=13–34) clusters
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/6/10.1063/1.3075834
10.1063/1.3075834
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