NEGF based transport modelling with a full-band, pseudopotential Hamiltonian: Theory, implementation and full device simulations

Abstract

This paper presents the theory, implementation and application of a new quantum transport, NEGF based modelling approach employing a full-band Empirical Pseudopotential (EP) Hamiltonian. The use of a hybrid real-space/plane-waves basis results in a remarkable reduction of the computational burden compared to a full plane waves basis, which allowed us to obtain complete, self-consistent simulations for both FETs and Tunnel FETs in Si or in Ge, and with geometrical features in line with forthcoming CMOS technologies.