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A multiscale simulation approach is developed to simulate the contacttransport properties between semimetal to a monolayer two-dimensional (2D)transition metal dichalcogenide (TMDC) semiconductor. The results elucidate themechanisms for low contact resistance between semimetal and TMDC semiconductorcontacts from a quantum transport perspective. The simulation results comparefavorably with recent experiments. Furthermore, the results show that thecontact resistance of a Bismuth-MoS2 contact can be further reduced byengineering the dielectric environment and doping the TMDC material to <100${\Omega}$.${\mu}$m. The quantum transport simulation indicates the possibilityto achieve an ultrashort contact transfer length of ~1 nm, which can allowaggressive scaling of the contact size.

Multiscale Modeling of Semimetal Contact to Two-Dimensional Transition Metal Dichalcogenide Semiconductor