Self-consistent simulations of intracavity terahertz comb difference frequency generation by mid-infrared quantum cascade lasers

Portable terahertz (THz) frequency comb sources are highly desired for applications in rotational molecular spectroscopy and sensing. To date, direct THz quantum cascade laser (QCL) frequency comb generation is not achievable at room temperature. However, THz comb generation based on intracavity difference frequency generation (DFG) in mid-infrared (mid-IR) QCLs is a promising alternative. Here, we present a numerical study of THz DFG-QCL comb formation in mid-IR QCLs based on a self-consistent multi-domain simulation approach. The dynamical simulations are performed using our open-source software tool mbsolve, which provides a flexible and efficient codebase for solving the generalized full-wave Maxwell-Bloch equations. Here, DFG in the active region of a dual-wavelength mid-IR QCL is considered for the generation of THz radiation. The mixing process and, thus, THz generation require a high second-order intersubband nonlinear susceptibility in the QCL active region and can be obtained by targeted quantum engineering. The associated nonlinear effects are included in the Hamiltonian of our Maxwell-Bloch simulation approach. All necessary input parameters for the description of the quantum system are determined self-consistently using our in-house ensemble Monte Carlo software tool for stationary carrier transport simulations. Notably, such simulations require a full-wave Maxwell-Bloch solver that does not employ the common rotating wave approximation, as a broadband optical field extending from the THz to the mid-IR region is investigated. Our modeling approach and the obtained simulation results for two THz DFG-QCL comb setups are validated against experimental data, showing reasonable agreement. Furthermore, we obtain a locked frequency modulated comb state for mid-IR and THz regimes.