Role of direct exchange and Dzyaloshinskii-Moriya interactions in magnetic properties of graphene derivatives: CF and CH
arXiv:1610.04059 · doi:10.1103/PhysRevB.94.214411
Abstract
According to the Lieb's theorem the ferromagnetic interaction in graphene-based materials with bipartite lattice is a result of disbalance between the number of sites available for electrons in different sublattices. Here, we report on another mechanism of the ferromagnetism in functionalized graphene that is the direct exchange interaction between spin orbitals. By the example of the single-side semihydrogenated (CH) and semifluorinated (CF) graphene we show that such a coupling can partially or even fully compensate antiferromagnetic character of indirect exchange interactions reported earlier [Phys. Rev. B {\bf 88}, 081405(R) (2013)]. As a result, CH is found to be a two-dimensional material with the isotropic ferromagnetic interaction and negligibly small magnetic anisotropy, which prevents the formation of the long-range magnetic order at finite temperature in accordance with the Mermin-Wagner theorem. This gives a rare example of a system where direct exchange interactions play a crucial role in determining a magnetic structure. In turn, CF is found to be at the threshold of the antiferromagnetic-ferromagnetic instability, which in combination with the Dzyaloshinskii-Moriya interaction can lead to a skyrmion state.
arXiv comment10 pages
References in corpus (41)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
- Maximally localized Wannier functions: Theory and applications
- Dielectric function, screening, and plasmons in 2D graphene
- Graphene Spintronics
- Magnetism in Graphene Induced by Single-Atom Defects
- Emergence of magnetism in graphene materials and nanostructures
- Spin-half paramagnetism in graphene induced by point defects
- Hydrogen on graphene: Electronic structure, total energy, structural distortions, and magnetism from first-principles calculations
- Atomic-scale control of graphene magnetism using hydrogen atoms
- Multiple-q states and skyrmion lattice of the triangular-lattice Heisenberg antiferromagnet under magnetic fields
- Strength of effective Coulomb interactions in graphene and graphite
- Calculations of Hubbard U from first-principles
- Limits on intrinsic magnetism in graphene
- Magnetic Moment Formation in Graphene Detected by Scattering of Pure Spin Currents
- Screened Coulomb interaction in the maximally localized Wannier basis
- Structures of Fluorinated Graphenes and Their Signatures
- Dual origin of defect magnetism in graphene and its reversible switching by molecular doping
- Optimal Hubbard models for materials with nonlocal Coulomb interactions: graphene, silicene and benzene
- Magnetic structures and reorientation transitions in noncentrosymmetric uniaxial antiferromagnets
- Spin-orbit coupling in hydrogenated graphene
- Anisotropic Spin Hamiltonians due to Spin-Orbit and Coulomb Exchange Interactions
- High-temperature ferromagnetism of electrons in narrow impurity bands: Application to CaB
- Evidence for spin-flip scattering and local moments in dilute fluorinated graphene
- Three-sublattice Skyrmion crystal in the antiferromagnetic triangular lattice
- Universal Magnetic Properties of sp-type Defects in Covalently Functionalized Graphene
- Combining DFT and Many-Body Methods to Understand Correlated Materials
- Exchange interactions and frustrated magnetism in single-side hydrogenated and fluorinated graphene
- Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective
- Wannier functions and exchange integrals: The example of LiCuO
- Spin-orbit coupling in fluorinated graphene
- Magnetism and interaction-induced gap opening in graphene with vacancies or hydrogen adatoms: Quantum Monte Carlo study
- Magnetic Structure of Hydrogen Induced Defects on Graphene
- Calculation of Neel temperature for S=1/2 quasi-one-dimensional Heisenberg antiferromagnets
- Atomically Resolved Imaging of Highly Ordered Alternating Fluorinated Graphene
- An upper bound for the magnetic force gradient in graphite
- Magnetism of sodium superoxide
- First-principles study of the magnetic ground state in kagome francisites Cu3Bi(SeO3)2O2X (X=Cl, Br)
- Hybridization and spin-orbit coupling effects in quasi-one-dimensional spin-1/2 magnet Ba3Cu3Sc4O12
- Microscopic analysis of the magnetic form factor in low-dimensional cuprates
- On the Self-Consistent Spin-Wave Theory of Two-Dimensional Magnets With Impurities
Cited by in corpus (17)
- Probing Single Vacancies in Black Phosphorus at the Atomic Level
- Intrinsic Ferromagnetism in Electrenes
- Dynamical and Reversible Control of Topological Spin Textures
- Excitonic Instability and Pseudogap Formation in Nodal Line Semimetal ZrSiS
- Electronic properties of single-layer antimony: Tight-binding model, spin-orbit coupling and the strength of effective Coulomb interactions
- Coulomb interactions and screening effects in few-layer black phosphorus: a tight-binding consideration beyond the long-wavelength limit
- Exact diagonalization solver for the extended dynamical mean-field theory
- Bimeron nanoconfined design
- Localised Magnetism in 2D Electrides
- A DMI guide to magnets micro-world
- Heisenberg-exchange-free nanoskyrmion mosaic
- Tunable Half-Metallicity and Edge Magnetism of H-saturated InSe Nanoribbons
- Nanoskyrmion engineering with -electron materials: Sn monolayer on SiC(0001) surface
- Complex magnetism of the two-dimensional antiferromagnetic Ge2F: from a Néel spin-texture to a potential antiferromagnetic skyrmion
- Controlling magnetic frustration in 1T-TaS via Coulomb engineered long-range interactions
- Effective lattice Hamiltonian for monolayer tin disulphide: tailoring electronic structure with electric and magnetic fields
- Real-Space Switching of Local Moments Driven by Quantum Geometry in Correlated Graphene Heterostructures