Abstract: We demonstrate a two-dimensional (2D) full-band ensemble Monte–Carlo simulator for heterostructures, which deals with carrier transport in two different semiconductor materials simultaneously as well as at the boundary by solving self-consistently the 2D Poisson and Boltzmann transport equations (BTE). The infrastructure of this simulator, including the energy bands obtained from the empirical pseudo potential method, various scattering mechanics employed, and the appropriate treatment of the carrier transport at the boundary between two different semiconductor materials, is also described. As verification and calibration, we have performed a simulation on two types of silicon–germanium (Si–Ge) heterojunctions with different doping profiles—the p–p homogeneous type and the n–p inhomogeneous type. The current–voltage characteristics are simulated, and the distributions of potential and carrier density are also plotted, which show the validity of our simulator.

Key words: heterostructure, Monte Carlo simulation, carrier transport