Density Functional Theory Method for Non-Equilibrium Charge Transport Calculations: TRANSAMPA
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 fo...
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| Vydáno v: | Brazilian Journal of Physics |
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| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Sociedade Brasileira de Física
2006
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| Témata: | |
| On-line přístup: | https://www.redalyc.org/articulo.oa?id=46413654039 |
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