Understanding Heavy and Light Hole Transport Dynamics in Diamond Through Monte Carlo Simulations and Experiments

ABSTRACT Understanding the charge carrier properties and the effects of local scattering mechanisms in semiconductor materials is essential to realize reliable electronic devices. In this study, Monte Carlo simulations on hole transport in diamond were performed including multiple scattering mechanisms and the results are compared with experimental data observed by hole time‐of‐flight (ToF) measurements. By incorporating interband scattering, the deformation potential for acoustic phonon scattering was extracted. Furthermore, the redistribution of the heavy and light hole populations was recorded, and their dynamic behavior was analyzed. Moreover, detailed analysis uncovered distinct transport behaviors under complex scattering mechanisms, predominantly driven by optical phonon interactions, consistent with experimental observations.