• 文献标题:   Stability and electronic properties of the graphene-supported FeO nanostructures including clusters and monolayer
  • 文献类型:   Article
  • 作  者:   BANO A, PATRA L, PANDEY R
  • 作者关键词:   graphene, feo cluster, feo monolayer, 2d heterostructure, density functional theory
  • 出版物名称:   APPLIED SURFACE SCIENCE
  • ISSN:   0169-4332 EI 1873-5584
  • 通讯作者地址:  
  • 被引频次:   4
  • DOI:   10.1016/j.apsusc.2021.150976 EA AUG 2021
  • 出版年:   2021

▎ 摘  要

Integration of graphene with subnano clusters or monolayer of FeO can facilitate the formation of nanostructures with applications in magnetic storage or health-related areas. In this paper, first-principles calculations are performed to investigate the stability and electronic properties of such supported nanostructures. The results show that a noticeable hybridization occurs between Fe and C atoms at the interface that provide stability to both the clusters and monolayer on graphene. The substrate-induced changes in the electronic properties of the (FeO)(n) clusters are small since the clusters appeared to be weakly adsorbed on the surface. However, this is not the case with FeO(111) monolayer for which a buckled configuration is predicted to be energetically preferred on graphene. Subsequently, graphene-supported FeO(111) monolayer exhibits half-metallicity with ferrimagnetic alignment of the magnetic moments in the lattice with finite total magnetic moment. The interface bonding, therefore, appears to define the characteristics of graphene-supported FeO(111) monolayer, though it makes small but noticeable changes in the graphene-supported (FeO)(n) clusters.