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Extrinsic doping in silicon revisited
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10.1063/1.3455313
/content/aip/journal/apl/96/24/10.1063/1.3455313
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/24/10.1063/1.3455313
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Electron density contour map of the (110) plane through a 64 atom Si supercell, showing the charge difference between a perfect neutral supercell and a supercell with a single positive charge. The negative charge contours indicate where charge has been lost, that is, at the Si cores and the two Si–Si bonds that this section intersects. indicates the nucleus of the Si atoms.

Image of FIG. 2.
FIG. 2.

Electron density contour map of the (110) plane that shows the difference between a perfect neutral supercell and a supercell, in the vicinity of the P dopant. The P atom accumulates charge and the Si atoms lose charge from their core regions and from the bonds with the P. indicates the position of Si nuclei and ◼ indicates the P nucleus.

Image of FIG. 3.
FIG. 3.

Electron density contour map of the (110) plane that shows the difference between a neutral supercell and a positively charged supercell. The negative charge contours indicate where charge has been lost, that is, from both P and Si atoms. indicates the position of Si nuclei and ◼ indicates the P nucleus.

Image of FIG. 4.
FIG. 4.

Electron density contour map of the (110) plane that shows the difference between a perfect neutral supercell and a positively charged supercell. The contours indicate that charge has been lost only from the Si atoms, while the P atom has accumulated charge. indicates the position of Si nuclei and ◻ indicates the P nucleus.

Image of FIG. 5.
FIG. 5.

Electron density contour map of the (110) plane that shows the difference between a perfect neutral supercell and a supercell, in the vicinity of the Ga dopant. The Ga atom donates charge to the Si atoms. indicates the position of Si nuclei and ◇ indicates the Ga nucleus.

Image of FIG. 6.
FIG. 6.

Electron density contour map of the (110) plane that shows the difference between a perfect neutral supercell and a negatively charged supercell. The contours indicate that charge has been gained only from Si atoms, while the Ga atom has lost charge. indicates the position of Si nuclei and ◻ indicates the P nucleus.

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/content/aip/journal/apl/96/24/10.1063/1.3455313
2010-06-17
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Extrinsic doping in silicon revisited
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/24/10.1063/1.3455313
10.1063/1.3455313
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