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Fluorine intercalated graphene: Formation of a two-dimensional spin lattice through pseudoatomization
Date Issued
01-07-2020
Author(s)
Mishra, Shashi B.
Indian Institute of Technology, Madras
Kanhere, D. G.
Indian Institute of Technology, Madras
Abstract
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 fluorine molecules are intercalated between two mono/multilayer graphene, their bonds get stretched enough (∼1.9-2.0Å) to weaken their molecular singlet eigenstate. Geometrically, these stretched molecules form a pseudoatomized fluorine layer by maintaining a van der Waals separation of ∼2.6Å 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 ∼100meV. 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 ∼0.6μB/F. However, if the graphene layers can be held fixed, the room-temperature stability of such a system is feasible.
Volume
4