Abstract
We present microscopic study of electronic and transport properties of single molecules sandwiched between two metallic contacts using Green’s function based modeling approach within both ab initio and self-consistent semi-empirical framework. The methods are applied to thiol-based organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.
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Y. Xue and M. A. Ratner, to be published.
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Xue, Y., Ratner, M.A. Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube. MRS Online Proceedings Library 761, 68 (2002). https://doi.org/10.1557/PROC-761-B6.8
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DOI: https://doi.org/10.1557/PROC-761-B6.8