• 文献标题:   Tunable magnetism and spin-polarized electronic transport in graphene mediated by molecular functionalization of extended defects
  • 文献类型:   Article
  • 作  者:   DE OLIVEIRA JB, DE OLIVEIRA ISS, PADILHA JE, MIWA RH
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Inst Fed Triangulo Mineiro
  • 被引频次:   3
  • DOI:   10.1103/PhysRevB.97.045107
  • 出版年:   2018

▎ 摘  要

We use first-principles simulations to investigate the magnetic and the electronic transport properties of functionalized graphene layers upon the presence of extended linear defects (ELDs). We have considered electron-donor molecules, tetrathiafulvalene (TTF), lying on the graphene sites neighboring the ELD (TTF/ELD). Those molecules bond to the graphene sheet mediated by van der Waals interactions, giving rise to a net (molecule. graphene) charge transfer. The n-type doping of graphene, as well as the molecule-graphene interaction, are strengthened by the presence of the ELD. There is a charge density accumulation on the C atoms along the defect sites, promoting the formation of magnetic states in TTF/ELD. We show that such a net magnetization can be modified through an external electric field (E-field). Further electronic transport calculations reveal that the transmission coefficients exhibit a spin anisotropy which can be controlled by the Efield, and thus showing that TTF/ELD is a quite interesting system to realize tunable spin-polarized electronic currents on graphene.