First-principles study of the electronic stopping power of Zn for protons

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成果类型：

期刊论文

作者：

Zhao, Xu-Dong;Mao, Fei;Li, Shi-Ming;Cheng, Guo-Dong;Li, Bing-Sheng;...

通讯作者：

Fei Mao

作者机构：

[Li, Shi-Ming; Mao, Fei; Zhao, Xu-Dong] Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Peoples R China.

[Cheng, Guo-Dong] Univ South China, Sch Comp Sci & Technol, Hengyang 421001, Peoples R China.

[Li, Bing-Sheng] Southwest Univ Sci & Technol, State Key Lab Environm Friendly Energy Mat, Mianyang 621010, Sichuan, Peoples R China.

[Mao, Hong] Hunan Inst Sci & Technol, Coll Mech Engn, Yueyang 414006, Hunan, Peoples R China.

[Wang, Feng] Beijing Inst Technol, Sch Phys, Beijing 100081, Peoples R China.

通讯机构：

[Fei Mao] S

School of Nuclear Science and Technology, University of South China, Hengyang 421001, China

语种：

英文

关键词：

Density functional theory;Electric excitation;Electrons;Molecular dynamics;D electrons;Electron excitations;Electron transfer;Electronic excitation;Electronic stopping power;Energetic protons;Excitation threshold;First-principle study;Non equilibrium;Stopping power;Velocity

期刊：

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

ISSN：

0168-583X

年：

2022

卷：

519

页码：

28-36

DOI：

10.1016/j.nimb.2022.03.010

基金类别：

Dr. C.-Z. Gao is thanked for fruitful discussions on this work. This work is supported by the National Natural Science Foundation of China under Grants Nos. 11975119 , 11774030 , 11805093 and 12135004 . B.-S.L. acknowledges Sichuan Science and Technology Program (Grant No. 2020ZYD055 ) for financial support.

机构署名：

本校为第一机构

院系归属：

计算机科学与技术学院

核科学技术学院

摘要：

The electronic stopping power of Zn for energetic protons is studied by using a nonequilibrium approach based on real-time time-dependent density-functional theory combined with molecular dynamics simulations. We calculated the electronic stopping power of protons traveling along two channeling trajectories depending on the impact parameter and off-channeling trajectories, and revealed the mechanism for d-electron excitation. In the low-velocity range, we reproduced not only the velocity proportionality of the stopping power of Zn for protons, ...

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First-principles study of the electronic stopping power of Zn for protons

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