• 文献标题:   Spin filter properties of armchair graphene nanoribbons with substitutional Fe atoms
  • 文献类型:   Article
  • 作  者:   HAGELBERG F, KAISER A, SUKUBA I, PROBST M
  • 作者关键词:   spin transport, graphene nanoribbon, nonequilibrium green s function, spintronic, spin filter
  • 出版物名称:   MOLECULAR PHYSICS
  • ISSN:   0026-8976 EI 1362-3028
  • 通讯作者地址:   East Tennessee State Univ
  • 被引频次:   3
  • DOI:   10.1080/00268976.2017.1288276
  • 出版年:   2017

▎ 摘  要

The spin filter capability of a (0,8) armchair graphene nanoribbon with Fe atoms at substitutional sites is investigated by density functional theory in combination with the non-equilibrium Green's function technique. For specific arrangements, a high degree of spin polarisation is achieved. These include a single substitution at an edge position or double substitution in the central sector of the transmission element. The possibility of switching between majority and minority spin polarisation by changing the double substitution geometry is predicted. Including the bias dependence of the transmission function proves to be essential for correct representation of the spin-resolved current-voltage profiles.