• 文献标题:   Gapped ferromagnetic graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   HOU D, WEI JH, XIE SJ
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076
  • 通讯作者地址:   Renmin Univ China
  • 被引频次:   6
  • DOI:   10.1039/c0cp02713h
  • 出版年:   2011

▎ 摘  要

We theoretically design a graphene-based all-organic ferromagnetic semiconductor by terminating zigzag graphene nanoribbons (ZGNRs) with organic magnets. A large spin-split gap with a 100% spin polarized density of states near the Fermi energy is obtained, which is of potential application in spin transistors. The interactions among electron, spin and lattice degrees of freedom are studied using the first-principles calculations including non-collinear spin orientations. All of the calculations consistently demonstrate that although no d electrons existing, the antiferromagnetic pi-pi exchange together with the strong electron-lattice interactions between organic magnets and ZGNRs make the ground state ferromagnetic.