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First-principles study of doped Si and Ge nanowires

✍ Scribed by H. Peelaers; B. Partoens; F.M. Peeters

Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
208 KB
Volume
40
Category
Article
ISSN
1386-9477

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✦ Synopsis

Using density functional theory we calculate the formation energies for B and P doped Si and Ge nanowires which are oriented in the [1 1 0] direction. First the preferential position for the dopants is calculated in fully passivated nanowires. It is found that the dopants prefer the edge or near edge positions. Further we show that a dangling bond has a large influence on these formation energies. When a dangling bond is present, P dopants will segregate to the edge of the wire, thereby trapping its additional electron and thus lowering the conductance. For B dopants this effect is smaller.

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