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Title:

Electronic transport properties of molecular devices

Document type:
Zeitschriftenaufsatz
Author(s):
Pecchia, A.; latessa, L.; Di Carlo, A.; Lugli, P.
Abstract:
Density functional theory calculations combined with non-equilibrium Green's function technique have been used to compute electronic transport in organic molecules. In our approach the system Hamiltonian is obtained by means of a self-consistent density-functional tight-binding (DFTB) method. This approach allows a first-principle treatment of systems comprising a large number of atoms. The implementation of the non-equilibrium Green's function technique on the DFTB code allows us to perform com...     »
Keywords:
Molecular electronics; Non-equilibrium transport; Green's functions
Journal title:
Physica E: Low-dimensional Systems and Nanostructures Volume 19, Issues 1–2, July 2003, Pages 139–144
Year:
2003
Year / month:
2003-07
Quarter:
3. Quartal
Month:
Jul
Pages contribution:
139 - 144
Language:
en
Fulltext / DOI:
doi:10.1016/S1386-9477(03)00300-X
WWW:
http://www.sciencedirect.com/science/article/pii/S138694770300300X
Publisher:
Elsevier B.V.
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