Contact dependence of carrier injection in carbon nanotubes: An ab initio study
Physical Review Letters 96, 076802 (2006).
N. Nemec, D. Tománek, and G. Cuniberti.
Journal DOI: https://doi.org/10.1103/PhysRevLett.96.076802

We combine ab initiodensity functional theory with transport calculations to provide a microscopic basis for distinguishing between `good' and `poor' metal contacts to nanotubes. Comparing Ti and Pd as examples of different contact metals, we trace back the observed superiority of Pd to the nature of the metal-nanotube hybridization. Based on large scale Landauer transport calculations, we suggest that the `optimum' metal-nanotube contact combines a weak hybridization with a large contact length between the metal and the nanotube.


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©https://doi.org/10.1103/PhysRevLett.96.076802
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Contact dependence of carrier injection in carbon nanotubes: An ab initio study
Physical Review Letters 96, 076802 (2006).
N. Nemec, D. Tománek, and G. Cuniberti.
Journal DOI: https://doi.org/10.1103/PhysRevLett.96.076802

We combine ab initiodensity functional theory with transport calculations to provide a microscopic basis for distinguishing between `good' and `poor' metal contacts to nanotubes. Comparing Ti and Pd as examples of different contact metals, we trace back the observed superiority of Pd to the nature of the metal-nanotube hybridization. Based on large scale Landauer transport calculations, we suggest that the `optimum' metal-nanotube contact combines a weak hybridization with a large contact length between the metal and the nanotube.


Cover
©https://doi.org/10.1103/PhysRevLett.96.076802
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