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Molecular electronic devices are the upmost destiny of the miniaturization trend of electronic components. Although not yet reproducible on large scale, molecular devices are since recently subject of intense studies both experimentally and theoretically, which agree in pointing out the extreme sensitivity of such devices on the nature and quality of the contacts. This chapter intends to provide a general theoretical framework for modelling electronic transport at the molecular scale by describing the implementation of a hybrid method based on Green function theory and density functional algorithms. In order to show the presence of contact-dependent features in the molecular conductance, we discuss three archetypal molecular devices, which are intended to focus on the importance of the different sub-parts of a molecular two-terminal setup.
The influence of contacts on linear transport through a molecular wire attached to mesoscopic tubule leads is studied. It is shown that low dimensional leads, such as carbon nanotubes, in contrast to bulky electrodes, strongly affect transport proper
We report results on the rectification properties of a carbon nanotube (CNT) ring transistor, contacted by CNT leads, whose novel features have been recently communicated by Watanabe et al. [Appl. Phys. Lett. 78, 2928 (2001)]. This paper contains res
We report the fabrication of hexagonal-boron-nitride (hBN) encapsulated multi-terminal WSe$_2$ Hall bars with 2D/2D low-temperature Ohmic contacts as a platform for investigating the two-dimensional (2D) metal-insulator transition. We demonstrate tha
Doped perovskite cobaltites (e.g., La$_{1-x}$Sr$_x$CoO$_3$) have been extensively studied for their spin-state physics, electronic inhomogeneity, and insulator-metal transitions. Ferromagnetically-interacting spin-state polarons emerge at low $x$ in
We study electron transport through a multichannel fractional quantum Hall edge in the presence of both interchannel interaction and random tunneling between channels, with emphasis on the role of contacts. The prime example in our discussion is the