Graphene based single molecule nanojunction |
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Authors: | R. Chowdhury S. AdhikariP. Rees |
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Affiliation: | Multidisciplinary Nanotechnology Centre, Swansea University, Swansea SA2 8PP, UK |
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Abstract: | We introduce the ab-initio framework for zigzag-edged graphene fragment based single-electron transistor (SET) operating in the Coulomb blockade regime. Graphene is modeled using the density-functional theory and the environment is described by a continuum model. The interaction between graphene and the SET environment is treated self-consistently through the Poisson equation. We calculate the charging energy as a function of an external gate potential, and from this we obtain the charge stability diagram. Specifically, the importance of including re-normalization of the charge states due to the polarization of the environment has been demonstrated. |
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Keywords: | Graphene fragment Ab-initio Single-electron transistor Coulomb blockade |
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