Molecular dynamics simulations of dipole layer formation in gate stacks

  • 方 禹

Student thesis: Master's Thesis


In order to confirm the effact of the interface of the multilayer dielectric layer on the threshold voltage based on the theory of interface oxygen ion diffusion this study investigates the thermal dynamics and inter-diffusion of atoms between dielectrics in a gate-all-around (GAA) structure by means of Reactive force field (ReaxFF) applied molecular dynamics (MD) simulations and prove it through the electronic negativity calculation of surface energy Based on the atomic distribution the built-in electric field and potential are calculated by Poisson equation at the dielectric interface We show that the build-in potential is dependent on the diameter of the Silicon nanowire (NW) and it is related to the feature of inner and outer surface energy
Date of Award2019
Original languageEnglish
SupervisorKuo-Hsing Kao (Supervisor)

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