Universal Magnetic Properties of sp${}^3$-type Defects in Covalently Functionalized Graphene

Abstract

Using density-functional calculations, we study the effect of sp${}^3$-type defects created by different covalent functionalizations on the electronic and magnetic properties of graphene. We find that the induced magnetic properties are {\it universal}, in the sense that they are largely independent on the particular adsorbates considered. When a weakly-polar single covalent bond is established with the layer, a local spin-moment of 1.0 ${\mu }_B$ always appears in graphene. This effect is similar to that of H adsorption, which saturates one $p_z$ orbital in the carbon layer. The magnetic couplings between the adsorbates show a strong dependence on the graphene sublattice of chemisorption. Molecules adsorbed at the same sublattice couple ferromagnetically, with an exchange interaction that decays very slowly with distance, while no magnetism is found for adsorbates at opposite sublattices. Similar magnetic properties are obtained if several $p_z$ orbitals are saturated simultaneously by the adsorption of a large molecule. These results might open new routes to engineer the magnetic properties of graphene derivatives by chemical means.

References in corpus (20)

• The electronic properties of graphene
• Half-Metallic Graphene Nanoribbons
• Magnetism in Graphene Induced by Single-Atom Defects
• Fluorographene: Two Dimensional Counterpart of Teflon
• Emergence of magnetism in graphene materials and nanostructures
• Spin qubits in graphene quantum dots
• Hydrogen on graphene: Electronic structure, total energy, structural distortions, and magnetism from first-principles calculations
• Induced Magnetic Ordering by Proton Irradiation in Graphite
• Magnetic Correlations at Graphene Edges
• Imaging and Dynamics of Light Atoms and Molecules on Graphene
• Vacancy induced magnetism in graphene and graphene ribbons
• Limits on intrinsic magnetism in graphene
• Understanding adsorption of hydrogen atoms on graphene
• RKKY in half-filled bipartite lattices: graphene as an example
• Monovalent impurities on graphene: midgap states and migration barriers
• Colossal negative magnetoresistance in dilute fluorinated graphene
• Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene
• Long-Range Interaction Between Adatoms in Graphene
• Nonmagnetic-Defect-Induced Magnetism in Graphene
• Magnetism of Covalently Functionalized Carbon Nanotubes

Cited by in corpus (28)

• Atomic-scale control of graphene magnetism using hydrogen atoms
• Nanoscale magnetic imaging of a single electron spin under ambient conditions
• Spin transport in graphene/transition metal dichalcogenide heterostructures
• Magnetism in Semiconducting Molybdenum Dichalcogenides
• Spin-orbit coupling in fluorinated graphene
• Role of direct exchange and Dzyaloshinskii-Moriya interactions in magnetic properties of graphene derivatives: C${}_2$F and C${}_2$H
• Hydrogenation-induced ferromagnetism on graphite surfaces
• Fluorine-induced local magnetic moment in graphene: A hybrid DFT study
• Resonant scattering due to adatoms in graphene: top, bridge, and hollow position
• Resonant scattering by magnetic impurities as a model for spin relaxation in bilayer graphene
• Spin-orbit coupling in methyl functionalized graphene
• Impurity-induced magnetic moments on the graphene-lattice Hubbard model: an inhomogeneous cluster DMFT study
• Tunable Adsorbate-Adsorbate Interactions on Graphene
• Theory of spin-orbit induced spin relaxation in functionalized graphene
• Selective Hydrogen Adsoprtion in Graphene Rotated Bilayers
• Anomalous magnetism in hydrogenated graphene
• Long-range exchange interaction between magnetic impurities in graphene
• Magnetic states of linear defects in graphene monolayers: effects of strain and interaction
• Spin relaxation in fluorinated single and bilayer graphene
• Potential and spin-exchange interaction between Anderson impurities in graphene
• Electron Confinement Induced by Diluted Hydrogen-like Ad-atoms in Graphene Ribbons
• Critical temperature of two-dimensional hydrogenated multilayer graphene-based diluted ferromagnet
• Quantum tailoring of electronic properties in covalently functionalized graphene: application to ammonia gas detection
• Designer fermion models in functionalized graphene bilayers
• Modification of the Optical Properties of Molecular Chains upon Coupling to Adatoms
• Coexistence of Multiple Magnetic Interactions in Oxygen Deficient V2O5 Nanoparticles
• Spin-orbit interactions may relax the rigid conditions leading to flat bands
• First-Principles Study of the Electronic and Magnetic Properties of Defects in Carbon Nanostructures