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Document type:
Zeitschriftenaufsatz 
Author(s):
Pecchia, A.; latessa, L.; Di Carlo, A.; Lugli, P. 
Title:
Electronic transport properties of molecular devices 
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 
Publisher:
Elsevier B.V.