Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

Understanding the generation and evolution of defects induced in matter by ion irradiation is fundamental importance to estimate degradation functional properties materials. Computational approaches used dierent communities, from space radiation eects nuclear energy experiments, are based on a number approximations that, among others, traditionally neglect coupling between electronic ionic degrees freedom description displacements. In this work, we study collision cascades GaAs, including stopping power for selfprojectiles directions obtained via real time Time Dependent Density Functional Theory Molecular Dynamics simulations cascades, using recent electron-phonon model previously developed two-temperature model. We show that former can be well applied describe molecular dynamics multielement semiconductor considerably aected eects. The results also discussed wider context commonly non-ionizing loss materials cumulative