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Theses

Transport électronique et thermique dans des nanostructures

Abstract : The perpetual shrinking of microelectronic devices makes it crucial to have a proper understanding of transport mechanisms at the nanoscale. While simple effects are now well understood in homogeneous materials, the understanding of nanoscale transport in heterosystems needs to be improved. For instance, the relationship between current, resistance, and heat flux in nanostructures remains to be clarified. In this context, the subject of the thesis is centered around the development and application of advanced numerical methods used to predict electronic and thermal conductivities of nanomaterials. This manuscript is divided into three parts. We begin with the parameterization of a classical interatomic potential, suitable for the description of multicomponent systems, in order to model the structural, vibrational, and thermal transport properties of both silica and silicon. A well-defined, reproducible, and automated optimization procedure is derived. As an example, we evaluate the temperature dependence of the Kapitza resistance between amorphous silica and crystalline silicon, and highlight the importance of an accurate description of the structure of the interface. Then, we have studied thermal transport in graphene supported on amorphous silica, by evaluating the mode-wise decomposition of thermal conductivity. The influence of hydroxylation on heat transport, as well as the significant role played by collective excitations of phonons, have come to light. Finally, electronic transport properties of graphene supported on quasi-two-dimensional silica, a system recently observed experimentally, have been investigated. The influence on transport properties of ripples in the graphene sheet or in the substrate, which often occur in samples and whose amplitude and wavelength can be controlled, has been evaluated. We have also modeled electrostatic gating, and its impact on electronic transport.
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Arthur France-Lanord. Transport électronique et thermique dans des nanostructures. Science des matériaux [cond-mat.mtrl-sci]. Université Paris-Saclay, 2016. Français. ⟨NNT : 2016SACLS566⟩. ⟨tel-01447655⟩

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