• 文献标题:   Imprinting Tunable pi-Magnetism in Graphene Nanoribbons via Edge Extensions
  • 文献类型:   Article
  • 作  者:   PIZZOCHERO M, KAXIRAS E
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY LETTERS
  • ISSN:   1948-7185
  • 通讯作者地址:  
  • 被引频次:   11
  • DOI:   10.1021/acs.jpclett.0c03677 EA JAN 2021
  • 出版年:   2021

▎ 摘  要

Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused naphtho groups, as recently fabricated via on-surface synthesis. We show that an individual edge extension acts as a spin-1/2 center and develops a sizable spin-polarization of the conductance around the band edges. The Heisenberg exchange coupling between a pair of edge extensions is dictated by the position of the second naphtho group in the carbon backbone, thus enabling ferromagnetic, antiferromagnetic, or nonmagnetic states. The periodic arrangement of edge extensions yields full spin-polarization at the band extrema, and the accompanying ferromagnetic ground state can be driven into nonmagnetic or antiferromagnetic phases through external stimuli. Overall, our work reveals a precise tunability of the pi-magnetism in graphene nanoribbons induced by naphtho groups, thereby establishing these one-dimensional architectures as suitable platforms for logic spintronics.