Dielectric Properties of Self-Assembled Monolayer Coatings on a (111) Silicon Surface

Novel nanomaterial systems as possible candidates for gate dielectric insulators play a key role in the fabrication of next-generation transistor devices in both metal-oxide-semiconductor (MOSFET) and organic thin-film transistors (OTFTs). We focus on one of these new alternative gate dielectric nanostructured materials: self-assembled monolayers (SAMs) of hydroxylated octadecyltrichlorosilane (OTS) chains deposited on a (111) Si substrate. Starting from the evaluation of the surface partial dipole of the SAM coating on the Si surface, we report a quantitative ab initio study of the static dielectric constant of the OTS thin-film coating at different coverage values of the hydrogenated (111) Si surface ranging from partial to full coverage. The main physical features of the OTS SAM films at different coverages have been studied with respect to their influence on the static dielectric constant, and a two-layer model is established. A linear dependence of the static dielectric constant versus the coverage i...