Structure électronique de nanotubules carbonés

Abstract : This work presents theoretical investigations on carbon nanotubes and specially the electronic structure properties of carbon nanotubes induced by the deformation of graphene and the transition process metal-semiconductor. The tight-binding method in the graphene model is applied to carbon nanotubes taking into account the deformation potential characterizing the conformal transformation of graphene to tubules. Bnad energies are plotted along allowed one-dimensional directions satisfying the boundary conditions and the energy gap values are evaluated. These values vary in function of the tubule's radius and tend to zero when the radius is important. It has been found that there are still two classes of nanotubes : semiconductors showing small or large band gaps depending on the conformation of the tubules. Our study is limited to single-shell nanotubes, this is the limitation of the graphene model. It is not adapted to multishell nanotubes. Our method gives results in good agreement with experimental values. Future prospects are given in the general conclusions of this thesis
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Rachid Moussaddar. Structure électronique de nanotubules carbonés. Autre [cond-mat.other]. Université Paul Verlaine - Metz, 1996. Français. ⟨NNT : 1996METZ049S⟩. ⟨tel-01777170⟩

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