Ballistic quantum transport study of Al contacting silicane using empirical pseudopotentials

We use a plane-wave based quantum transport approach to model the properties of metal contacts to two-dimensional (2D) semiconductors. Using the example of Al contacted to silicane, we show that our model is capable of obtaining the carrier density, potential distribution and current flow at the atomistic level. We self-consistently calculate the current density in an Al-silicane contact and show that the current mainly flows through the edge of the contact as opposed to being distributed along the entire length of the contact region. We find a contact resistance of $3.8\cdot 10^{4} \Omega \mu \mathrm{m}$; a high value which we attribute to the large difference between the Al work function and the silicane electron affinity.