• 文献标题:   Effects of uniaxial strains on the magnetic properties and the electronic structures of Fe/graphene system: An ab initio study
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   CHOI H, LEE EK, CHO SB, CHUNG YC
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:   Hanyang Univ
  • 被引频次:   3
  • DOI:   10.1063/1.3672870
  • 出版年:   2012

▎ 摘  要

Using ab initio calculations, we investigated the changes of the magnetic moment and electronic structures of Fe adatoms on strained graphene sheets. By the uniaxial tensile strains in armchair and zig-zag directions on graphene sheets, the amounts of charge transfers from graphene 2p(z) orbital to Fe adatom 3d orbitals were linearly increased. The magnetic moments of Fe, however, show the tendency of linear decrements with the uniaxial tensile strains. The increased Fe magnetic moments by uniaxialy graphene compressions resulted from the shifting of spin-minority states of electrons while the decreased Fe magnetic moments were due to the reduction in the spin-majority states of 3d(xy)-orbitals of the Fe adatom. (C) 2012 American Institute of Physics. [doi:10.1063/1.3672870]