• 文献标题:   First principles investigation of the spin transport properties in graphene-porphine-graphene nanojunctions
  • 文献类型:   Article
  • 作  者:   LIU Y, ZHONG HC
  • 作者关键词:   porphine, graphene, spin transport, negative differential resistance
  • 出版物名称:   MOLECULAR PHYSICS
  • ISSN:   0026-8976 EI 1362-3028
  • 通讯作者地址:   Zunyi Med Univ
  • 被引频次:   0
  • DOI:   10.1080/00268976.2020.1755065 EA APR 2020
  • 出版年:   2020

▎ 摘  要

The spin-dependent transport properties of a porphine molecule linking with two zigzag-edged graphene nanoribbon (ZGNR) electrodes have been investigated by using the density of functional theory (DFT) combined with the non-equilibrium Green's function (NEGF) method. The device shows clearly negative differential resistance (NDR), large tunnelling magnetoresistance (TMR) of 10(3) magnitude and nearly 100% perfect spin filter efficiency (SFE) properties, respectively. What's more, the projected density of states (PDOS), molecular projected self-consistent Hamiltonian (MPSH) eigenvalues and transmission eigenstates were carried out to discuss the transport properties of the ZGNR/Porphine/ZGNR nanojunction. These results suggest that the ZGNR/Porphine/ZGNR device is a promising candidate for multi-functional spintronic devices.