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| Format: | Artículo científico |
| Language: | en |
| Published: |
Sociedade Brasileira de Física
2006
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| Online Access: | https://www.redalyc.org/articulo.oa?id=46413654039 |
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| _version_ | 1866558234436829184 |
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| author | Frederico D. Novaes |
| author_facet | Frederico D. Novaes |
| 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 |
| format | Artículo científico |
| id | redalyc_46413654039 |
| language | en |
| publishDate | 2006 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Density Functional Theory Method for Non-Equilibrium Charge Transport Calculations: TRANSAMPA Frederico D. Novaes Física, Astronomía y Matemáticas Non Charge Transport Density Functional Theory Equilibrium Green's Function 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 |
| title | Density Functional Theory Method for Non-Equilibrium Charge Transport Calculations: TRANSAMPA |
| topic | Física, Astronomía y Matemáticas Non Charge Transport Density Functional Theory Equilibrium Green's Function |
| url | https://www.redalyc.org/articulo.oa?id=46413654039 |