Simulation of ac conductivity of monolayer MoS2 at terahertz frequencies

We present a multiphysics numerical tool for calculating the terahertz (THz) conductivity of transition-metal dichalcogenides (TMDs). The tool combines the ensemble Monte Carlo (EMC) technique for carrier transport with a three-dimensional finite-difference-time-domain (FDTD) solver for electromagnetic fields. We use the coupled EMC–FDTD technique to calculate the frequency-dependent conductivity in the terahertz range for monolayer MoS2, both for suspended layers and for layers supported on the commonly used silicon-dioxide substrate.