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Scanning tunnelling spectroscopy and ab initio calculations of single-walled carbon nanotubes interfaced with highly doped hydrogen-passivated Si(100) ...

Scanning tunnelling spectroscopy and ab initio calculations of single-walled carbon nanotubes... The electronic properties of isolated single-walled carbon nanotubes (SWNTs) adsorbed onton- and p-doped hydrogen-passivated Si(100) surfaces are studied by ultrahigh vacuum scanningtunnelling spectroscopy and ab initio density-functional methods. SWNTs identified assemiconductors (s-SWNTs) have well-defined conduction and valence band edges separated by a1 eV gap, with the mid-gap Fermi level implying that the s-SWNTs areundoped. Relative s-SWNT/H-Si(100) band alignments inferred fromdI/dV plots are sensitive to the polarity of the substrate doping. Band structure calculations for a(12,4) s-SWNT corroborate experimental data: n-type (p-type) doping of the substrateleads to a shift of the surface bands lower (higher) in energy relative to those of thes-SWNT. The adsorption energy and charge transfer calculated for the (12,4) s-SWNTphysisorbed onto H-Si(100) are considerably less than values reported for the same tube onunpassivated Si(100) and are registration independent. The atomistic results presented herehave critical implications to hybrid electronic and photonic devices that rely upon a directinterface between a SWNT and a technologically relevant semiconductor such as Si orGaAs. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Nanotechnology IOP Publishing

Scanning tunnelling spectroscopy and ab initio calculations of single-walled carbon nanotubes interfaced with highly doped hydrogen-passivated Si(100) ...

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References (44)

Copyright
Copyright IOP Publishing Ltd
ISSN
0957-4484
eISSN
1361-6528
DOI
10.1088/0957-4484/18/9/095204
Publisher site
See Article on Publisher Site

Abstract

The electronic properties of isolated single-walled carbon nanotubes (SWNTs) adsorbed onton- and p-doped hydrogen-passivated Si(100) surfaces are studied by ultrahigh vacuum scanningtunnelling spectroscopy and ab initio density-functional methods. SWNTs identified assemiconductors (s-SWNTs) have well-defined conduction and valence band edges separated by a1 eV gap, with the mid-gap Fermi level implying that the s-SWNTs areundoped. Relative s-SWNT/H-Si(100) band alignments inferred fromdI/dV plots are sensitive to the polarity of the substrate doping. Band structure calculations for a(12,4) s-SWNT corroborate experimental data: n-type (p-type) doping of the substrateleads to a shift of the surface bands lower (higher) in energy relative to those of thes-SWNT. The adsorption energy and charge transfer calculated for the (12,4) s-SWNTphysisorbed onto H-Si(100) are considerably less than values reported for the same tube onunpassivated Si(100) and are registration independent. The atomistic results presented herehave critical implications to hybrid electronic and photonic devices that rely upon a directinterface between a SWNT and a technologically relevant semiconductor such as Si orGaAs.

Journal

NanotechnologyIOP Publishing

Published: Mar 7, 2007

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