آزمایشگاه محاسباتی نانو فیزیک ، گروه فیزیک، دانشکده علوم، دانشگاه گیلان
عنوان مقاله [English]
In this paper, electron transport in a metal/molecule/metal molecular system Includes biphenyl-dithiol molecule and three-dimensional gold electrodes for three different types of contact geometry, are investigated. The Hamiltonian of the molecule is calculated based on the Hückel method and the current is computed by the non-equilibrium Green’s function method in the framework of Landauer–Büttiker formalism. Transmission coefficient and current-voltage characteristics are calculated for three different geometric structures. The results show that electron transport is strongly affected by quantum interference of electron waves and the geometry of the molecule-electrode interface. The current amplitude for symmetric coupling is larger than two other asymmetric couplings because of the quantum interference effects of the electron waves traveling through the different paths.