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Structural growth behavior and polarizability of clusters
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10.1063/1.3147519
/content/aip/journal/jcp/130/21/10.1063/1.3147519
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/21/10.1063/1.3147519

Figures

Image of FIG. 1.
FIG. 1.

The lowest-energy structures of . Dark spheres are Te atoms and light spheres are Cd atoms.

Image of FIG. 2.
FIG. 2.

The endohedral (or core-shell) cage structures (left side) and empty cage structures (right side) of . The differences in the total binding energies of the two families of structures are given below the structure for each size. Dark spheres are Te atoms and light spheres are Cd atoms. The darker atom (red online) inside is a Te atom.

Image of FIG. 3.
FIG. 3.

Size dependence of the binding energy per CdTe unit, , for the two families lowest-energy structures of clusters. The squares represent the hollow cage structures and the circles represent the core-shell structures.

Image of FIG. 4.
FIG. 4.

Polarizability per CdTe unit for the two families of clusters. The squares represent the hollow cage structures and the circles represent the core-shell structures.

Image of FIG. 5.
FIG. 5.

Correlation between the cluster polarizability anisotropy, , and the shape anisotropy, , for clusters. The smallest value of corresponds to the hollow cage , which is nearly spherical, and the largest to the linear structure .

Tables

Generic image for table
Table I.

Binding energy per CdTe unit , HOMO-LUMO gap, dipole moment, , in zero field, the mean polarizability per CdTe unit, , and the mean atomic charges for the lowest-energy structures of (top), the hollow cage and core-shell cage structures of (below).

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/content/aip/journal/jcp/130/21/10.1063/1.3147519
2009-06-05
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structural growth behavior and polarizability of CdnTen(n=1–14) clusters
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/21/10.1063/1.3147519
10.1063/1.3147519
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