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Density-functional study of structural, electronic, and magnetic properties of the clusters
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10.1063/1.3232009
/content/aip/journal/jcp/131/11/10.1063/1.3232009
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/11/10.1063/1.3232009
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The lowest energy isomers and the corresponding symmetries of . The Si atoms and Eu atoms are shown in light ball and dark ball, respectively.

Image of FIG. 2.
FIG. 2.

The lowest energy isomers and the corresponding symmetries of the clusters. The Si atoms and Eu atoms are shown in light ball and dark ball, respectively.

Image of FIG. 3.
FIG. 3.

The lowest energy isomers and the corresponding symmetries of the clusters. The Si atoms and Eu atoms are shown in light ball and dark ball, respectively.

Image of FIG. 4.
FIG. 4.

The binding energy per atom of the clusters.

Image of FIG. 5.
FIG. 5.

The second difference in binding energy of the clusters.

Image of FIG. 6.
FIG. 6.

The VIP of the clusters.

Image of FIG. 7.
FIG. 7.

Size dependence on the AEA of the clusters. The triangle and square represent the experimental and theoretical values, respectively.

Image of FIG. 8.
FIG. 8.

The HOMO-LUMO gaps of the clusters.

Image of FIG. 9.
FIG. 9.

Atomic charges of Eu atom of the clusters.

Image of FIG. 10.
FIG. 10.

Total magnetic moments and magnetic moments (Eu) on Eu atom of the clusters.

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/content/aip/journal/jcp/131/11/10.1063/1.3232009
2009-09-18
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Density-functional study of structural, electronic, and magnetic properties of the EuSin(n=1–13) clusters
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/11/10.1063/1.3232009
10.1063/1.3232009
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