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      Itinerant Flat-Band Magnetism in Hydrogenated Carbon Nanotubes

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          Abstract

          We investigate the electronic and magnetic properties of hydrogenated carbon nanotubes using ab initio spin-polarized calculations within both the local density approximation (LDA) and the generalized gradient approximation (GGA). We find that the combination of charge transfer and carbon network distortion makes the spin-polarized flat-band appear in the tube's energy gap. Various spin-dependent ground state properties are predicted with the changes of the radii, the chiralities of the tubes and the concentration of hydrogen (H). It is found that strain or external electric field can effectively modulate the flat-band spin-splitting, and even induce an insulator-metal transition.

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          Author and article information

          Journal
          2010-02-04
          2010-02-05
          Article
          1002.1030

          http://arxiv.org/licenses/nonexclusive-distrib/1.0/

          Custom metadata
          ACS Nano 3, 1646 (2009)
          13 pages, 5 figures
          cond-mat.mtrl-sci cond-mat.mes-hall

          Condensed matter, Nanophysics

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