• 文献标题:   Spin-resolved transport properties of atomic carbon chain between sawtooth zigzag-edge graphene nanoribbons electrodes
  • 文献类型:   Article, Early Access
  • 作  者:   WAN HQ, XIAO XB, ZHOU GH, HU W
  • 作者关键词:   carbon atomic chain, graphene nanoribbon with sawtooth zigzag edge, magnetic transport, firstprinciples calculation
  • 出版物名称:   MOLECULAR PHYSICS
  • ISSN:   0026-8976 EI 1362-3028
  • 通讯作者地址:   Yuzhang Normal Univ
  • 被引频次:   0
  • DOI:   10.1080/00268976.2020.1857448 EA DEC 2020
  • 出版年:  

▎ 摘  要

We investigate the magnetic transport properties for a molecular device model constructed by a carbon atomic chain embedding in two hydrogen-passivated graphene nanoribbons (GNRs) electrodes with sawtooth zigzag edges. The spin-dependent transport simulation is carried out by the first-principles approach based on the density functional theory combing with nonequilibrium Green's function formalism. It is found that the dual spin-filtering effect with the perfect efficiency up to 100%, high-performance dual-spin diode effect with the rectification ratio reaches about 2.02 x 10(8) and obvious negative differential resistance behaviour with a peak-to-valley ratio near 3.24 x 10(6) are numerically observed in such proposed molecular device. Particularly, a giant magnetoresistance ratio approaching 2.38 x 10(7)% is also observed, which is two orders magnitude higher than the value of a zigzag-edge GNR. These findings suggest that our proposed device has multifunction with highly effective spin-filter, spin-diode, spin-valve performance. [GRAPHICS]