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The Effective Mass Of An Electron When Tunneling Through A Molecular Wire

C. Joachim, M. Magoga
Published 2002 · Chemistry

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Abstract Observed from the electrodes, the electronic tunnel transport regime though a molecular wire is described by a generalized non-parabolic dispersion relationship. The calculation of the complex-band structure of a molecular wire leads to an analytical expression for the effective mass m* of a tunneling electron through this wire. m* is calculated for different molecular wires and compared to the ones of standard solid state tunnel junction. In the tunneling regime, the conductance optimization of a molecular wire depends equally on this m* and on its homo–lumo gap.
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