Contact Block Reduction method for ballistic quantum transport with semi-empirical sp3d5s* tight binding band models

The utility of the Contact Block Reduction method (CBR) to find the retarded Green’s function for ballistic quantum devices with semi-empirical tight binding band (TB) models is discussed. This work shows that the original method needs several modifications to be used with TB models. In the common case where two contacts are used for transport in quantum wires, our approach computes the transmission coefficients with much less computing load than the state-of-the-art Recursive Green’s Function (RGF) algorithm.