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Understanding the generation and evolution of defects induced in matter byion irradiation is of fundamental importance to estimate the degradation offunctional properties of materials. Computational approaches used in dierentcommunities, from space radiation eects to nuclear energy experiments, arebased on a number of approximations that, among others, traditionally neglectthe coupling between electronic and ionic degrees of freedom in the descriptionof displacements. In this work, we study collision cascades in GaAs, includingthe electronic stopping power for selfprojectiles in dierent directionsobtained via real time Time Dependent Density Functional Theory in MolecularDynamics simulations of collision cascades, using the recent electron-phononmodel and the previously developed two-temperature model. We show that theformer can be well applied to describe the eects of electronic stopping inmolecular dynamics simulations of collision cascades in a multielementsemiconductor and that the number of defects is considerably aected byelectronic stopping eects. The results are also discussed in the wider contextof the commonly used non-ionizing energy loss model to estimate degradation ofmaterials by cumulative displacements.

On the effect of electronic stopping in molecular dynamics simulations of collision cascades in Gallium Arsenide