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Abstract |
After the first demonstration of graphene, 2D materials have attracted tremen-dous attention in the electronic devices community. Graphene was regarded as a promising material for electronics due to its extremely high carrier mobility. However, graphene is a semi-metal that does not have a band gap in its inherent form, which makes it inappropriate for switching devices in digital logic circuits.More recently new class of 2D semiconducting materials, such as Transition Metal Dichalcogenides (TMDs), have been found, and it has been shown that stacking layered materials to get heterostructures is a very powerful method to tailor their properties, mixing them, but also inducing new ones. In this context, this PhD thesis work focused on the electronic properties of monolayers of TMDs, graphene/TMDs bilayers, and twisted bilayers of TMDs. In order to study such a complex structures, we have combined the density functional theory (DFT) approaches and simplified tight-binding (TB) models. |
