Modeling of high-k-Metal-Gate-stacks using the non-equilibrium Green’s function formalism

A high-k-metal-gate stack has been investigated using an open boundary model based on the non-equilibrium Greenpsilas function formalism. The numerical energy integration, which is crucial because of the very narrow resonant states, is pointed out in detail. The model has been benchmarked against the established classical and closed boundary Schrodinger-Poisson model. In contrast to the established models, the solution covers distinct resonant states with a realistic broadening and results in a major difference in the current density spectrum.