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The role of morphology in stability of Si nanowires
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10.1063/1.3131846
/content/aip/journal/jap/105/10/10.1063/1.3131846
http://aip.metastore.ingenta.com/content/aip/journal/jap/105/10/10.1063/1.3131846

Figures

Image of FIG. 1.
FIG. 1.

The top two panels: different cross sections (the polyhedron, the square, the rhomb, and the round) of the -oriented SiNWs. All facets are indicated. The bottom panel: lateral views of the polyhedron and the round SiNWs. Dimers (in the former case) and the -rebonded steps (in the later case) are singled out.

Image of FIG. 2.
FIG. 2.

Dependence of the total energy per atom on the number of atoms in the unit cell for the -oriented SiNWs with different morphology. The zero of the energy scale corresponds to the energy of the Si atom in bulk. The lines are a guide to the eyes.

Image of FIG. 3.
FIG. 3.

The left figure: the cross section of the most energetically preferable morphology of the SiNWs in the orientation. All facets are indicated. The right figure: the lateral view displaying the {100} facet with -rebonded steps. The latter ones are singled out.

Image of FIG. 4.
FIG. 4.

The left figure: the cross section of the -oriented SiNWs. All facets are indicated. The right figure: the lateral view displaying the {112} facet with pentagonlike structures. The latter ones are singled out.

Image of FIG. 5.
FIG. 5.

The cross sections of the SiNWs in the orientation with different morphology (the polyhedron and the square). All facets are indicated.

Image of FIG. 6.
FIG. 6.

Dependence of the total energy per atom on the number of atoms in the unit cell for the -oriented SiNWs with different morphology. The zero of the energy scale corresponds to the energy of the Si atom in bulk. The lines are a guide to the eyes.

Image of FIG. 7.
FIG. 7.

The total energy per atom on the number of atoms in the unit cell for SiNWs with different axes. For comparison the number of atoms in the unit cell for all cases was rescaled to . The zero of the energy scale corresponds to the energy of the Si atom in bulk. The lines are a guide to the eyes.

Tables

Generic image for table
Table I.

The optimized unit cell parameter (, in angstrom) and the corresponding uniaxial strain (, in percent) of the oriented round SiNWs with respect to the number of atoms in the unit cell and diameter (, in nanometer).

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/content/aip/journal/jap/105/10/10.1063/1.3131846
2009-05-28
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The role of morphology in stability of Si nanowires
http://aip.metastore.ingenta.com/content/aip/journal/jap/105/10/10.1063/1.3131846
10.1063/1.3131846
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