Quantum transport through molecular assemblies

International Journal Of Nanoelectronics and Materials 4, 1 - 7 (2011)

Quantum transport through molecular assemblies

N.H. March, A. Rubio

We utilize the T=0 transport theory for resistivity R (α G -1where G is the work of Rousseau et al., which gave G-1 as a force-force correlation function R conductance), for molecular assemblies connected to metallic leads. Following the early , McCaskill and March introduced a denominator we shall denote by 1- b, where b takes account of bound states. Though for molecular assemblies, explicit calculation of both < FF> and b present difficulties for potential scattering theory we have adapted different models put forward in the literature to extract b and show that is highly oscillatory. In the case of the Brouwer model of electron pumping, when coulomb blockade is nor operative, one-electron theory, such as the treatment of McCaskil and March is appropriate. Transcending that however, we suspect that proximity to a metal-insulator transition is a reason why conductances are often over estimated by orders of magnitude in current treatments of molecular electronics set-ups.

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