Fluorine Intercalated Graphene: Formation of a 2D Spin Lattice through Pseudoatomization
arXiv:2005.09888 · doi:10.1103/PhysRevMaterials.4.074411
Abstract
A suspended layer made up of ferromagnetically ordered spins could be created between two mono/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 ( 1.92.0 Å) to weaken their molecular singlet eigenstate. Geometrically, these stretched molecules form a pseudoatomized fluorine layer by maintaining a van der Waals separation of 2.6 Å 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 stabilize to induce local spin-moments at each fluorine sites and in turn form a suspended 2D spin lattice. The spins of this lattice align ferromagnetically with nearest neighbour coupling strength as large as 100 meV. Our finite temperature \textit {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 0.6 /F. However, if the graphene layers can be held fixed, the room temperature stability of such a system is feasible.
arXiv comment16 pages, 18 figures
References in corpus (29)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Magic-angle graphene superlattices: a new platform for unconventional superconductivity
- Correlated Insulator Behaviour at Half-Filling in Magic Angle Graphene Superlattices
- Control of graphene's properties by reversible hydrogenation
- Tuning superconductivity in twisted bilayer graphene
- Graphane: a two-dimensional hydrocarbon
- Graphene Spintronics
- Magnetism in Graphene Induced by Single-Atom Defects
- Spin-half paramagnetism in graphene induced by point defects
- Magnetism in graphene nano-islands
- Evidence of Gate-Tunable Mott Insulator in Trilayer Graphene-Boron Nitride Moiré Superlattice
- Magnetism in Disordered Graphene and Irradiated Graphite
- Dynamic band structure tuning of graphene moiré superlattices with pressure
- Magnetic Moment Formation in Graphene Detected by Scattering of Pure Spin Currents
- Magnetism of Substitutional Co Impurities in Graphene: Realization of Single -Vacancies
- High-temperature ferromagnetism of electrons in narrow impurity bands: Application to CaB
- Tailoring Graphene with Metals on Top
- Approaching magnetic ordering in graphene materials by FeCl intercalation
- Stacking Sequence Dependence of Graphene Layers on SiC(000-1) - Experimental and Theoretical Investigation
- Vacancy in graphene: insight on magnetic properties from theoretical modeling
- Vacancy in graphene: insight on magnetic properties from theoretical modeling
- Adsorption of diatomic halogen molecules on graphene: A van der Waals density functional study
- Inducing Kondo Screening of Vacancy Magnetic Moments in Graphene with Gating and Local Curvature
- Quantum Critical Transition and Kondo Screening of Magnetic Moments in Graphene
- Induced magnetism in transition metal intercalated graphitic systems
- Intertwined Lattice Deformation and Magnetism in Monovacancy Graphene
- Magnetic and electronic phase crossovers in graphene nanoflakes
- Fluorine absorption on single and bilayer graphene: Role of sublattice and layer decoupling
- Adsorption and Diffusion of F2 molecules on Pristine Graphene