Nanotube-based molecular magnets with spin-polarized edge states

Yusuke Higuchi, Koichi Kusakabe, Naoshi Suzuki, Shinji Tsuneyuki, Jun Yamauchi, Kazuto Akagi, Yoshihide Yoshimoto

研究成果: Article査読

15 被引用数 (Scopus)

抄録

Edge effects on possible magnetism appearing in finite hydrogenated zigzag nanotubes are investigated using the DFT-LSDA calculations. Our result shows that two types of edges, i.e. a mono-hydrogenated zigzag edge (MHZE) and a di-hydrogenated zigzag edge (DHZE), can give magnetic moments in finite nanotubes. Due to curvature of the tube, however, the total magnetic moment Stot is smaller than an expected value given by a counting rule of 5tot, which holds for magnetic nanographite ribbons. In addition to magnetic nanotubes found by Okada and Oshiyama, we show that a (7, 0) tube and an (8,0) tube with both MHZE and DHZE are magnetic. The reactions to create hydrogenated (7,0) and (8,0) tubes are exothermic.

本文言語English
ページ(範囲)S5689-S5692
ジャーナルJournal of Physics Condensed Matter
16
48
DOI
出版ステータスPublished - 2004 12 8

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学

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