Hydrogen-induced magnetism in carbon nanotubes

Yuchen Ma, P.O. Lehtinen, A. S. Foster, R. M. Nieminen

Research output: Contribution to journalArticleScientificpeer-review

55 Citations (Scopus)
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Abstract

Spin-polarized density functional theory is used to investigate hydrogen-induced magnetism in single-walled carbon nanotubes (SWNTs). Hydrogen trapped at a carbon vacancy can trigger delocalized π electron spin polarization on semiconducting zigzag SWNTs. Hydrogen pinned by a carbon adatom on the surface of the SWNT can induce spin polarization localized at the carbon adatom, independent of the diameter and chirality of the tube.
Original languageEnglish
Article number085451
Pages (from-to)1-6
Number of pages6
JournalPhysical Review B
Volume72
Issue number8
DOIs
Publication statusPublished - 2005
MoE publication typeA1 Journal article-refereed

Keywords

  • DFT
  • Magnetism
  • Nanotubes

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