Investigation of transport in edge passivated armchair silicene nanoribbon field effect transistor by ab-initio based Wannierised tight binding

Abstract In this work, comparative analysis of hydrogen(H), hydroxyl (OH), fluorine (F) and chlorine (Cl) edge passivated silicene nanoribbon (SiNR) field effect transistors (FETs) having nanoribbon width of 7 dimers along the armchair direction has been carried out. The ab-initio tight binding simulations of SiNR with different edge passivation uses the multi-scale approach which consists of density functional theory, Wannier function based tight binding and the non-equilibrium Green's Function formalism. It has been found that, the band gap of hydrogen passivated SiNR is comparatively larger than the other edge passivated SiNRs. To choose the optimum number of Wannier functions for tight binding approximations, the contribution of orbitals has also been analyzed. It has been found that, in transport characteristics of X-edge passivated SiNR FETs (X is H, F, Cl and OH), the H-edge passivated SiNR FET shows improved transfer characteristics in comparison to OH, Cl and F–edge passivated SiNR FETs.