• 文献标题:   Enhanced ferromagnetic ordering of a Mn trimer symmetrically and fully exposed on iridium-doped graphene
  • 文献类型:   Article
  • 作  者:   HAN Y, GAO JF, JIANG YH, WAN XD, WAN JG, ZHAO JJ
  • 作者关键词:   graphene, manganese, trimer, iridium, magnetism, ferromagnetism, antiferromagnetism
  • 出版物名称:   JOURNAL OF PHYSICS BATOMIC MOLECULAR OPTICAL PHYSICS
  • ISSN:   0953-4075 EI 1361-6455
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1088/1361-6455/ac6782
  • 出版年:   2022

▎ 摘  要

The structure and magnetism of a Mn trimer adsorbed on iridium-doped graphene are studied using density functional theory calculations. Our calculation results show that the Mn trimer prefers to locate on top of the Ir atom and forms a fully exposed high-symmetry configuration with large binding energy and hardness of rotation. The ferromagnetic ordering of the Mn trimer fully exposed the on iridium-doped graphene is enhanced five times compared to a free Mn trimer. Our study shows that the enhancement originates from the fixed long bond and the C (3v ) symmetry of the Mn trimer constrained by the iridium-doped graphene.