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Transport properties of a biphenyl-based molecular junction system-the electrode metal dependence
Hisashi Kondo1, Jun Nara, Hiori Kino
1CMSC, National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047, Japan. Institute of Industrial Science, University of Tokyo, Meguro, Tokyo 153-8505, Japan.
Abstract:
We investigate the transport properties of a biphenyl-dithiol molecule sandwiched between electrodes made of metal Y (Y = Cu, Ag and Au) using the non-equilibrium Green's function method based on a density functional theory. The electrode metal Y has an influence on the coupling between the molecule and electrodes, and thus on the transmission peak height. For the transmission T(Y) at the Fermi energy, we obtain T(Cu)∼T(Ag)
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