• 文献标题:   First-principles study of an iron-based molecule grafted on graphene
  • 文献类型:   Article
  • 作  者:   RESERBATPLANTEY A, GAVA P, BENDIAB N, SAITTA AM
  • 作者关键词:  
  • 出版物名称:   EPL
  • ISSN:   0295-5075 EI 1286-4854
  • 通讯作者地址:   CNRS UJF INP
  • 被引频次:   6
  • DOI:   10.1209/0295-5075/96/57001
  • 出版年:   2011

▎ 摘  要

Motivated by recent experimental studies on single molecular magnets grafted on graphene and single-walled carbon nanotubes, we investigate the structural, electronic, and magnetic properties of an iron-based magnetic molecule grafted on a graphene sheet using ab initio calculations. In particular, the induced charge transfer and magnetization are described in terms of the coupling between the molecule and the graphene orbitals. This interaction and its effects on graphene electronic properties are determined and discussed in view of the potential utilization of graphene in spintronics. Copyright (C) EPLA, 2011