Electronic transport properties of molec
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A. Pecchia; L. Latessa; A. Di Carlo; P. Lugli; Th. Neihaus
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Article
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2003
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Elsevier Science
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English
β 248 KB
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 a