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Nano Lett. 2007 Aug;7(8):2211-3. Epub 2007 Jun 29.

Nonlocal exchange interaction removes half-metallicity in graphene nanoribbons.

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  • 1Department of Theoretical Chemistry, Royal Institute of Technology, AlbaNova, S-106 91 Stockholm, Sweden.


Band gap studies of zigzag-edge graphene ribbons are presented. While earlier calculations at LDA level show that zigzag-edge graphene ribbons become half-metallic when cross-ribbon electric fields are applied, our calculations with hybrid density functional demonstrate that finite graphene ribbons behave as half-semiconductors. The spin-dependent band gap can be changed in a wide range, making possible many applications in spintronics.

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