Atomistic modeling of high energy irradiation in semiconductors

This project aims to develop atomistic models based on physical mechanisms that are predictive and computationally efficient for simulating high-energy irradiation processes in semiconductors. In particular, irradiation with very high-energy neutrons and protons (MeV-GeV) is an inevitable process in devices operating in highly radioactive environments (radiation sensors, nuclear facilities, medical radiological equipment, etc.), causing a loss of performance and a reduction in their lifespan. We have established a multi-scale atomistic simulation methodology combining the Geant4 – BCA – kMC techniques, which allows us to obtain the spectrum of recoils produced by a given irradiation (particle type and energy), simulate their interaction with the semiconductor, and their effect on the activation of dopants. This Dataset includes the spectrum of PKAs resulting from neutron and proton irradiation in Si obtained with Geant4, the analysis of defects produced by low energy Si recoils as simulated by MD and BCA techniques, and the simulation with the kMC code DADOS of dopant deactivation (acceptor removal process) in p-type Si sensors induced by neutron an proton irradiation.