Improved numerical calculation of the generation of a neutral beam by charge transfer between chlorine ions/neutrals and a graphite surface

Tomohiro Kubota, Naoki Watanabe, Shingo Ohtsuka, Takuya Iwasaki, Kohei Ono, Yasuroh Iriye, Seiji Samukawa

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The charge transfer process between chlorine particles (ions or neutrals) and a graphite surface on collision was investigated by using a highly stable numerical simulator based on time-dependent density functional theory to understand the generation mechanism of a high-efficiency neutral beam developed by Samukawa et al (2001 Japan. J. Appl. Phys. 40 L779). A straightforward calculation was achieved by adopting a large enough unit cell. The dependence of the neutralization efficiency on the incident energy of the particle was investigated, and the trend of the experimental result was reproduced. It was also found that doping the electrons and holes into graphite could change the charge transfer process and neutralization probability. This result suggests that it is possible to develop a neutral beam source that has high neutralization efficiency for both positive and negative ions.

Original languageEnglish
Article number465203
JournalJournal of Physics D: Applied Physics
Volume47
Issue number46
DOIs
Publication statusPublished - 2014 Nov 19

Keywords

  • charge transfer
  • chlorine
  • first-principle calculation
  • graphite
  • neutral beam
  • neutralization mechanism
  • time-dependent density functional theory

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Acoustics and Ultrasonics
  • Surfaces, Coatings and Films

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