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Transport properties and electrical device characteristics with the TiMeS computational platform: Application in silicon nanowires
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10.1063/1.4807578
/content/aip/journal/jap/113/20/10.1063/1.4807578
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/20/10.1063/1.4807578
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Figures

Image of FIG. 1.
FIG. 1.

Schematic setup of one of the investigated nanowire structures. A silicon nanowire grown along the [110] direction is depicted with p-n-p doping profile. Substitutional boron (green sphere on line) is used to dope the semi-infinite periodic leads whereas the “scattering region” incorporates a phosphorus dopant (blue sphere on line).

Image of FIG. 2.
FIG. 2.

The TiMeS flowchart shows the cross-platform of quantum transport implementation. The non-self-consistent step is indicated by the dark (blue on line) arrow. T and F stand for “true” and “false,” respectively.

Image of FIG. 3.
FIG. 3.

Mean free path of locally oxidized Si nanowire (structure described in text) for the indicated basis sets and defect density n = 5 × 10 cm (mean distance between impurities  = 9.6 nm). The energy range corresponds to the first valence sub-band of the electronic structure obtained with the double-zeta polarized basis set.

Image of FIG. 4.
FIG. 4.

Transmission of holes across a silicon nanowire with a boron impurity for the indicated basis sets. The structure and the contraction scheme aredescribed in the text. The energy range corresponds to the first valence sub-band of the electronic structure obtained with the double-zeta polarized basis set.

Image of FIG. 5.
FIG. 5.

Transmission properties of p-n-p junctions using (a) s31p31 and (b) s31p31d1 basis sets. Panels (c) and (d) show the transmission of the p-i-p junctions considering s31p31 and s31p31d1 orbital basis sets, respectively. The Fermi level is the reference energy.

Image of FIG. 6.
FIG. 6.

Current-voltage characteristics of (a) p-n-p and (b) p-i-p junctions. Different orbital basis sets are compared for both structures. The scattered points show results based on the self-consistent T(E,V) and the lines correspond to the linear response approximation T(E).

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/content/aip/journal/jap/113/20/10.1063/1.4807578
2013-05-30
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Transport properties and electrical device characteristics with the TiMeS computational platform: Application in silicon nanowires
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/20/10.1063/1.4807578
10.1063/1.4807578
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