Simulation of implantation into HfO2 by MD method

Molecular dynamics (MD) method has not been reported to predict range profiles of implantation into HfO₂ and stopping power models especially electronic stopping power model has not been studied specifically. In this article, MD method is successfully applied to simulate B, As and P implantation into HfO₂. An efficient electronic stopping model with only one free parameter, i.e., the single electron radius, is carefully discussed. A reliable fitting value of the single electron radius is firstly given for B, As and P implantation into HfO₂. Using the obtained fitting value, simulation results agree with SIMS data excellently over the energy range of 5 - 40 keV.