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We have performed a first-principles study on the deformation effect of theelectronic structures of graphite nanoribbon arrays with zigzag edges on bothsides, and the edge atoms are terminated with hydrogen atoms. A uniaxial strainis considered to have deformation effect on the graphite nanoribbons. We foundthat the antiferromagnetic arrangement of the spin polarizing edges of graphitenanoribbon is still more favorable than that with the ferromagnetic arrangementunder deformation. We also learned that a tensile strain increases themagnetization of the graphite ribbon while a compressive strain decreases it. Apositive pressure derivative of the band gap of antiferromagnetic state isobserved for the graphite nanoribbon under uniaxial strains. The strain changesthe shape of band structure and the band gap; in here, the edge atoms play acrucial role. The deformations are also found to influence the contribution ofthe edge atoms to the bands near the Fermi level. The deformation effect forthe graphite nanoribbon under transverse electric field is also studied.

The Deformation Effect on the Electronic Structure of the Graphite Nanoribbon Arrays