Efficient Green's function algorithms for atomistic modeling of Si nanowire FETs

Atomistic simulations of transport properties of an ultra-scaled silicon nanowire (SiNW) field-effect transistor (FETs) in a Gate-All-Around configuration are reported. The calculations have been obtained using a semi-empirical tight-binding representation of the system Hamiltonian based on first-principles density functional theory (DFT). An efficient non-equilibrium Green's functions (NEGF) scheme has been implemented in order to compute self-consistently the charge density and the electrostatic potential in the SiNW channel.