Multiscale insights into the radiation effect of semiconductor materials

We develop a multiscale framework capturing the primary interaction, displacement cascade generation and evolution, and realistic observable damaged structure based on Monte Carlo, Molecular Dynamics, and Object Kinetic Monte Carlo using an effective defect information transmitting scheme. The radiation effects of phosphorus-doped n-type silicon materials are simulated based on a multiscale framework, and the results are consistent with experimental observations. The simulation results show that, the incident particle type has a large effect on the concentrations and distribution of defects, which is closely related to the Primary Knock-On Atom (PKA) energy spectra and the defects evolution of defects. A negative correlation between defect concentration and fluence rate is attributed to the dissipation of subsequent PKA kinetic energy in the pre-cascade region. By comparing the interatomic bond length, we reveal that the doped atom can change displacement threshold energy, thereby affecting the defect concentration.