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Abstract Characterizing how materials respond to energetic-particle irradiation is fundamental to a wide range of semiconductor processes. However, the deceleration of energetic particles in solids remains an active area of research due to the complex nature of energy exchange between ionic and electronic systems. Recently, the advent of two-temperature molecular dynamics models has enabled more realistic simulations of this highly anisotropic deceleration process.
Abstract The experimentally validated real-time time-dependent density-functional theory (rt-TDDFT) provides a robust framework for studying electronic stopping. Accurate predictions of this directionally sensitive phenomenon are essential for various active research areas and applications, especially in semiconductors. Here we present a path-dependent model of electronic stopping in self-irradiated silicon in the keV-MeV regime.
Abstract The effects of incident energetic particles, and the modification of materials under irradiation, are governed by the mechanisms of energy losses of ions in matter. The complex processes affecting projectiles spanning many orders of magnitude in energy depend on both ion and electron interactions. Developing multi-scale modeling methods that correctly capture the relevant processes is crucial for predicting radiation effects in diverse conditions.
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