• 文献标题:   Spin filter effects in zigzag-edge graphene nanoribbons with symmetric and asymmetric edge hydrogenations
  • 文献类型:   Article
  • 作  者:   DENG XQ, ZHANG ZH, TANG GP, FAN ZQ, YANG CH
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   Changsha Univ Sci Technol
  • 被引频次:   86
  • DOI:   10.1016/j.carbon.2013.09.061
  • 出版年:   2014

▎ 摘  要

Using the non-equilibrium Green's function method combined with the density functional theory, we investigate the magnetism and spin-dependent transport properties of symmetric and asymmetric zigzag-edged graphene nanoribbons (ZGNRs) passivated by monohydrogenation with [1, -1] magnetism configuration. The symmetric model H-6ZGNR-H shows a dual spin filter effect, but asymmetric H-5ZGNR-H behaves as a conductor with linear current-voltage relationships. We also investigate the magnetism and spin-dependent transport properties of H2-ZGNR-H with asymmetric edge hydrogenations, the perfect dual spin filtering effect is observed in both H2-5ZGNR-H and H2-6ZGNR-H. The transmission pathways and PDOS demonstrate that the edge of C-H2 bonds have important effects on the magnetism and spin-dependent transport properties as compared with the edge of C-H bonds. (C) 2013 Elsevier Ltd. All rights reserved.