A multiphysics computational technique for THz-frequency characterization of semiconductors and metals

We present a multiphysics computational technique for calculating the THz-frequency conductivity in semiconductors and metals. This novel technique combines the ensemble Monte Carlo (EMC) simulation of carrier transport with the finite-difference time-domain (FDTD) solver of Maxwell´s curl equations and the molecular dynamics (MD) technique for describing short-range Coulomb interactions between particles with finite radii and the exchange interaction between indistinguishable electrons. The calculated complex conductivity of doped bulk silicon shows excellent agreement with experimental data. This work represents the first comprehensive computational technique for THz-regime characterization of materials with relatively high carrier densities.