• 文献标题:   Gate-tunable magnetism of C adatoms on graphene
  • 文献类型:   Article
  • 作  者:   NOKELAINEN J, ROZHANSKY IV, BARBIELLINI B, LAHDERANTA E, PUSSI K
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   LUT Univ
  • 被引频次:   5
  • DOI:   10.1103/PhysRevB.99.035441
  • 出版年:   2019

▎ 摘  要

We have performed density functional theory calculations of graphene decorated with carbon adatoms, which bind at the bridge site of a C-C bond. Earlier studies have shown that the C adatoms have magnetic moments and have suggested the possibility of ferromagnetism with high Curie temperature. Here we propose to use a gate voltage to fine tune the magnetic moments from zero to 1 mu(B) while changing the magnetic coupling from antiferromagnetism to ferromagnetism and again to antiferromagnetism. These results are rationalized within the Stoner and Ruderman-Kittel-Kasuya-Yosida (RKKY) models. When the SCAN meta-GGA (generalized gradient approximation) correction is used, the magnetic moments for zero gate voltage are reduced and the Stoner band ferromagnetism is slightly weakened in the ferromagnetic region.