• 文献标题:   Fluorine intercalated graphene: Formation of a two-dimensional spin lattice through pseudoatomization
  • 文献类型:   Article
  • 作  者:   MISHRA SB, YADAV SK, KANHERE DG, NANDA BRK
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW MATERIALS
  • ISSN:   2475-9953
  • 通讯作者地址:   IIT Madras
  • 被引频次:   0
  • DOI:   10.1103/PhysRevMaterials.4.074411
  • 出版年:   2020

▎ 摘  要

A suspended layer made up of ferromagnetically ordered spins could be created between two-monolayer or multilayer graphene through intercalation. Stability and electronic structure studies show that, when flu-orine molecules are intercalated between two mono/multilayer graphene, their bonds get stretched enough (similar to 1.9-2 . 0 angstrom) to weaken their molecular singlet eigenstate. Geometrically, these stretched molecules form a pseudoatomized fluorine layer by maintaining a van der Waals separation of similar to 2.6 angstrom from the adjacent carbon layers. As there is a significant charge transfer from the adjacent carbon layers to the fluorine layers, a mixture of triplet and doublet states stabilizes to induce local spin moments at each fluorine site and in turn form a suspended two-dimensional spin lattice. The spins of this lattice align ferromagnetically with nearest-neighbor coupling strength as large as similar to 100 meV. Our finite-temperature ab initio molecular dynamics study reveals that the intercalated system can be stabilized up to a temperature of 100 K with an average magnetic moment of similar to 0.6 mu(B)/F. However, if the graphene layers can be held fixed, the room-temperature stability of such a system is feasible.