• 文献标题:   Ferroelectric surface induced electron doping in a zigzag graphene nanoribbon
  • 文献类型:   Article
  • 作  者:   BELLETTI GD, DALOSTO SD, TINTE S
  • 作者关键词:   firstprinciple, ferroelectric, graphene nanoribbon, interface
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Univ Nacl Litoral
  • 被引频次:   6
  • DOI:   10.1088/0953-8984/28/43/435002
  • 出版年:   2016

▎ 摘  要

The interface between a zigzag graphene nanoribbon (zGNR) and the ferroelectric PbTiO3 (0 0 1) surface is studied through first-principles calculations. We investigate how the electric polarization normal to the surface tunes the zGNR electronic and magnetic properties. A ferroelectric single-domain configuration with polarization up and down is considered including explicitly a bottom metallic electrode. Our results show how not only the ferroelectric polarization direction determines the doping in zGNR-the downward polarization induces a p-type doping in a planar zGNR whereas the upward polarization keeps it intrinsic-but also the features of the clean ferroelectric surface, such as the atomic relaxation and the electronic distribution. Interestingly, the surface ferroelectric polarization, besides tuning the carrier type as it does in graphene, also closes the zGNR band gap which can be understood in terms of the weakening of the local magnetic moment of the edge carbon atoms as the polarization increases. The zGNR antiferromagnetic ground state is preserved without breaking the alpha-beta degeneracy.