Quantum Transport Simulations for Si:P δ-layer Tunnel Junctions

We present an efficient self-consistent implementation of the Non-Equilibrium Green Function formalism, based on the Contact Block Reduction method for fast numerical efficiency, and the predictor-corrector approach, together with the Anderson mixing scheme, for the self-consistent solution of the Poisson and Schrodinger equations. Then, we apply this quantum transport framework to investigate 2D horizontal Si:P ffi-layer Tunnel Junctions. We find that the potential barrier height varies with the tunnel gap width and the applied bias and that the sign of a single charge impurity in the tunnel gap plays an important role in the electrical current.