• 文献标题:   Spin-polarized transport through heterobilayers of graphene nanoribbons and ruthenium-porphyrin tapes
  • 文献类型:   Article
  • 作  者:   KANG HS
  • 作者关键词:   firstprinciples calculation, armchair graphene nanoribbon, porphyrin tape, heterobilayer, halfmetal, conductance
  • 出版物名称:   CHEMICAL PHYSICS
  • ISSN:   0301-0104 EI 1873-4421
  • 通讯作者地址:   Jeonju Univ
  • 被引频次:   2
  • DOI:   10.1016/j.chemphys.2012.07.001
  • 出版年:   2012

▎ 摘  要

Using the first-principles calculation, we have shown that armchair graphene nanoribbons (aGNR) exhibit highly spin-polarized transport by forming heterobilayers with one-dimensional ruthenium porphyrin tapes (Ru-PPTs). Due to stronger electronic coupling, the bilayer formation between aGNRs and doubly-linked (DL) Ru-PPTs is stronger than that between aGNRs and triply-linked (TL) Ru-PPTs. While the TL bilayer is a quasi-metal, the DL bilayer preserves the half-metallic character of the underlying DL Ru-PPT. At an applied bias of 0.1 V, the conductance of the DL heterobilayer is 99.7% spin-polarized. (C) 2012 Elsevier B. V. All rights reserved.