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| Format: | Artículo científico |
| Language: | en |
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Sociedade Brasileira de Física
2006
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| Online Access: | https://www.redalyc.org/articulo.oa?id=46413654039 |
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Table of Contents:
- Density Functional Theory Method for Non-Equilibrium Charge Transport Calculations: TRANSAMPA Frederico D. Novaes Antônio J. R. da Silva A. Fazzio Física, Astronomía y Matemáticas Non Charge Transport Density Functional Theory Equilibrium Green's Function We describe a procedure to calculate charge transport properties across a nanosystem. This scheme is based on a Green's Function formalism to treat a non-equilibrium problem, coupled to the Density Functional Theory to describe the electronic structure. As an illustration, we perform calculations for the charge transport across a (5,5) carbon nanotube with a vacancy. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46413654039 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.3A Vol.36