The contribution of inner electron excitation to the electronic stopping power of palladium for protons

Jin, Wenqi; Mao, Fei; Li, Shi-Ming; Zuo, Wen-Qi; Chen, Rui-Da; Xiong, Ge-Ge; Mao, Hongkui; Wang, Feng; Zhang, Feng-Shou

doi:10.1039/d2cp05510d

Cited by 5 publications

(3 citation statements)

References 70 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…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.…”

Section: Introductionsupporting

confidence: 91%

“…We characterize the collision behaviors of energetic ions with the target nuclei and electrons through Ehrenfest molecular dynamics coupling with time-dependent density-functional theory (EMD-TDDFT), 29,55–57 which has been successfully used to study the stopping power of various materials such as LiF, 58,59 Mg, 60 Pd 43 and graphene. 61,62…”

Section: Methods and Computational Detailsmentioning

confidence: 99%

See 1 more Smart Citation

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

Pang¹,

Wang²,

Sun³

et al. 2023

Phys. Chem. Chem. Phys.

Self Cite

View full text Add to dashboard Cite

show abstract

Section: Introductionsupporting

confidence: 91%

Section: Methods and Computational Detailsmentioning

confidence: 99%

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

Pang¹,

Wang²,

Sun³

et al. 2023

Phys. Chem. Chem. Phys.

Self Cite

View full text Add to dashboard Cite

show abstract

“…The contribution to the charge transfer is dominated by this region, resulting in a minimal influence of ALDA on charge transfer [44]. For light ions like protons and in case of the stopping regime considered in this paper, the corrections of the XC functional are expected to be small [45]. A single k-point (Γ) is used, meanwhile the total energy must be converged.…”

Section: Computational Detailsmentioning

confidence: 99%

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

Deng

Feng

2023

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Understanding the ion-solid interactions of charged particles in materials facilitates the development of ion beam irradiation techniques. Combining Ehrenfest dynamics and time-dependent density-functional theory (ED-TDDFT), we investigated the electronic stopping power (ESP) of an energetic proton in GaN crystal and studied the ultrafast dynamic interaction between the proton and target atoms during the nonadiabatic process. We found a crossover phenomenon of ESP at 0.36 a.u. along the <100> and <110> channels, which is interpreted by the charge transfer between the host material and the projectile and the stopping force exerted on the proton. At velocities of 0.2 and 1.7 a.u., we demonstrated that the reversal of the average number of charge transfer and the average axial force resulted in the reversed energy deposition rate and ESP in the corresponding channel. Further analysis of the evolution of non-adiabatic electronic states revealed the existence of the transient and semi-stable N-H chemical bonding during irradiation process, which is introduced by the electron clouds overlap of N sp3 hybridization and the s orbitals of the proton. These results provide meaningful information for the interactions between energetic ions with matter.

show abstract

Electronic stopping of iron for protons and helium ions from first-principles calculations

Zhao,

Mao,

Deng

2024

Phys. Rev. A

View full text Add to dashboard Cite

The contribution of inner electron excitation to the electronic stopping power of palladium for protons

Abstract: Our study showed that the inner electron excitation contributes significantly to the electronic stopping power of palladium for protons.

Cited by 5 publications

References 70 publications

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

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

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

Electronic stopping of iron for protons and helium ions from first-principles calculations

Contact Info

Product

Resources

About