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Paper   IPM / Nano-Sciences / 8233
School of Nano Science
  Title:   Analytical Results on Ballistic Transport in a Periodic Molecular Wire
1.  Mohammad Mardaani
2.  Keivan Esfarjani
  Status:   Published
  Journal: chem. phys.
  Vol.:  317
  Year:  2005
  Pages:   43-48
  Supported by:  IPM
In this paper, we study the coherent electronic transport of a periodic quantum wire (P-QW) such as poly-acetylene connected to uniform metallic leads, within the tight-binding (TB) approach and in the ballistic regime. We have calculated the Greens function (GF), density of states (DOS) and the coherent transmission coefficient (TC) fully exactly for a quantum wire. The quasi gap and the energy and wire-length dependence of the GF and conductance for the system are also derived. Finally, we obtain a non-linear equation which gives the bound state energies. Our calculation can be generalized to arbitrary leads and can be applied to molecular wires, polymers, nanocrystals, where results may be useful in designing future molecular electronic devices.

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