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The influence of Coulomb interactions on electrical conduction through short molecular wires

Kamil Walczak
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Abstract

Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself is described with the help of Huckel (tight-binding) model with the electron interactions treated within extended Hubbard model (EHM), while the coupling to the electrodes is described with the help of a broad-band theory. Coulomb interactions within molecular wire are treated by means of the restricted Hartree-Fock (RHF) approximation. In particular, the influence of short-range and long-range Coulomb interactions on electrical transport characteristics is discussed in detail.

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Kamil Walczak. 2005-11-22. The influence of Coulomb interactions on electrical conduction through short molecular wires. https://arxiv.org/abs/cond-mat/0509727

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