A2D Sim: atom-to-device simulation platform for quantum device simulations

This study uses the atom-to-device simulation (A2D Sim) platform to assess the performance of silicene-based armchair Schottky barrier field effect transistors (SBFETs) using a multiscale approach made up of density functional theory (DFT), tight-binding based on Wannier functions, and non-equilibrium Green's function (NEGF). The models utilized in the platform cover the linear, saturation, and subthreshold working regimes of the FETs and have been developed from the fundamentals, by taking into account the physics of 2D semiconductors. The effects of edge passivation in armchair silicene nanoribbon-based SBFETs, strain effects on fully hydrogenated silicene, effect of Fermi level pinning, and the effect of scattering have also been analyzed. It has been observed that the H-edge passivated silicene nanoribbon SBFET exhibits enhanced transfer characteristics in comparison to OH, Cl, and F-edge passivated silicene nanoribbon FETs in X-edge passivated silicene nanoribbon (X is H, F, Cl, and OH). Further, the buckling height of the fully hydrogenated silicene increases with the compressive strain and it reduces with the tensile strain. In addition, the results show that the on-state drive current-to-off-state leakage current ratio in the case silicene SBFETs is in the order of 10³.