• 文献标题:   Edge reconstructions induce magnetic and metallic behavior in zigzag graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   DUTTA S, PATI SK
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   Jawaharlal Nehru Ctr Adv Sci Res
  • 被引频次:   34
  • DOI:   10.1016/j.carbon.2010.07.057
  • 出版年:   2010

▎ 摘  要

The edge reconstructions of zigzag graphene nanoribbons with one and two lines of alternating fused five and seven membered rings along one edge with hydrogen passivation are studied using first principles density functional theory. Reconstructions on one edge stabilize the systems in a metallic ground state with finite magnetic moment. The reconstructed edge suppresses the local spin density of atoms and contributes a finite density of states at the Fermi energy. Our study shows the possibilities of fabricating the metallic electrodes for semiconducting graphene devices with full control over their magnetic behavior without any lattice mismatch between leads and the channel. (C) 2010 Elsevier Ltd. All rights reserved.