Contribution of f -electron excitation to electronic stopping power of platinum for protons

Effects of semicore electrons on stopping power in helium-irradiated aluminum nanosheets

“…in this study of Al nanosheets. Our results are also consistent with other theoretical calculations for different targets, 39,41–43 establishing our confidence to make further detailed analysis. By comparing with the results of bulk Al in ref.…”

“…Ojanpera et al 31 calculated the S e of energetic ions in graphitic targets and demonstrated that the excitation of not only valence electrons but also core electrons is essential for the electronic energy loss. Li et al 39 reported that the 4 f-electron excitation of Pt plays a crucial role in determining the S e based on TDDFT simulation. These calculations have confirmed that the excitation of core electrons is important for the S e in a high-velocity regime.…”

Trajectory-dependent threshold effects of proton stopping power in LiF nanosheets

“…In our simulations, we employed the Δ t × ν ∼ 1.24 × 10 −3 Å method to set the time step for protons of varying velocities, 34,35 which is utilized to guarantee the convergence of the total energy. The computer time required to complete a single rt-TDDFT calculation is 48 hours with four GeForce GTX GPUs.…”

Crossover of energy deposition and semi-stable chemical bonding in the nonadiabatic dynamics of GaN under proton irradiation

“…From figure 2(b), the deviation between the ESP and SRIM data at high velocity is due to the neglect of the core electron excitation of target atoms. Under off-channeling condition, protons have chance to get close to these host nuclei and cause the core electronic excitation, which can enhance the ESP and improve the agreement between SRIM data and TDDFT simulations [44,54]. In the present work, we only consider the valence electrons of the target atoms, and core electronic excitation is not taken into account due to the high computational cost.…”