Electron Monte Carlo Simulations of Nanoporous Si Thin Films -- The Influence of Pore-Edge Charges

Electron transport within nanostructures can be important to varied engineering applications, such as thermoelectrics and nanoelectronics. In theoretical studies, electron Monte Carlo simulations are widely used as an alternative approach to solving the electron Boltzmann transport equation, where the energy-dependent electron scattering, exact structure shape, and detailed electric field distribution can be fully incorporated. In this work, such electron Monte Carlo simulations are employed to predict the electrical conductivity of periodic nanoporous Si films that have been widely studied for thermoelectric applications. The focus is on the influence of pore-edge charges on the electron transport. The results are further compared to our previous modeling [Hao et al., J. Appl. Phys. 121, 094308 (2017)], where the pore-edge electric field has its own scattering rate to be added to the scattering rates of other mechanisms.