Chowdhury, R., Adhikari, S. and Rees, P. (2012) Graphene based single molecule nanojunction. Physica B: Condensed Matter, 407(5), pp. 855-858. (doi: 10.1016/j.physb.2011.12.101)
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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.
| Item Type: | Articles |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Adhikari, Professor Sondipon |
| Authors: | Chowdhury, R., Adhikari, S., and Rees, P. |
| College/School: | College of Science and Engineering > School of Engineering > Infrastructure and Environment |
| Journal Name: | Physica B: Condensed Matter |
| Publisher: | Elsevier |
| ISSN: | 0921-4526 |
| ISSN (Online): | 1873-2135 |
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