Transport models based on NEGF and empirical pseudopotentials: a computationally viable method for self-consistent simulation of nanoscale devices
Résumé
We present new theoretical developments and applications concerning Non-Equilibrium Green's Functions (NEGF) based transport modelling with an Empirical Pseudopotential (EP) Hamiltonian. We have extended the methodology to include arbitrary crystal orientations and strain conditions, and have reformulated quantum confinement and spatial discretization to improve the computational efficiency.