Structure and magnetism in carbon nanotubes including magnetic wire

• Shiroishi H.

• Oda Tatsuki

• Sakashita H.

• Fujima N.

• 小田 竜樹

抄録

金沢大学大学院自然科学研究科計算科学

金沢大学理学部

We have studied the electronic structure of the carbon nanotubes which include Fe atomic wire with using the density functional theory. As the stable geometries, we obtained the straight and zigzag wires, which have ferromagnetic and antiferromagnetic alignments, respectively. The antiferromagnets consists of the two ferromagnetic dimers which couple in antiparallel alignment. We presents the band dispersions and the density of states for the magnetic nanotubes. The electronic structure at the Fermi level consists of the Fe 3d and C 2pπ states, which shows a strong hybridization between them. © EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007.

収録刊行物

• European Physical Journal D

  European Physical Journal D 43 (1-3), 129-132, 2007-07-01

  Springer Verlag

詳細情報

• CRID: 1390013332654718080
• NII論文ID: 120000809006
• DOI: 10.24517/00010196
• ISSN: 14346060
• Web Site: http://hdl.handle.net/2297/6603
• 本文言語コード: en
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