Braiding of edge states in narrow zigzag graphene nanoribbons: effect of the third neighbors hopping

Abstract

We study narrow zigzag graphene nanoribbons (ZGNRs), employing density functional theory (DFT) simulations and the tight-binding (TB) method. The main result of these calculations is the braiding of the conduction and valence bands, generating Dirac cones for non-commensurate wave vectors $\vec{k}$. Employing a TB Hamiltonian, we show that the braiding is generated by the third-neighbor hopping (N3). We calculate the band structure, the density of states and the conductance, new conductance channels are opened, and the conductance at the Fermi energy assumes integer multiples of the quantum conductance unit $G_o=2e^2/h$. We also investigate the satisfaction of the Stoner criterion by these ZGNRs. We calculate the magnetic properties of the fundamental state employing LSDA (spin-unrestricted DFT) and we confirm that ZGNRs with $N=(2,3)$ do not satisfy the Stoner criterion and as such the magnetic order could not be developed at their edges. These results are confirmed by both tight-binding and LSDA calculations.

References in corpus (30)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Quantum Spin Hall Effect in Graphene
• Epitaxial Growth of Two-Dimensional Stanene
• On-surface synthesis of graphene nanoribbons with zigzag edge topology
• Low-energy effective Hamiltonian involving spin-orbit coupling in Silicene and Two-Dimensional Germanium and Tin
• Graphene field-effect-transistors with high on/off current ratio and large transport band gap at room temperature
• Emergence of magnetism in graphene materials and nanostructures
• Near-degeneracy of several pairing channels in multiorbital models for the Fe-pnictides
• Structural and electronic properties of germanene on MoS${}_2$
• Carrier Density and Magnetism in Graphene Zigzag Nanoribbons
• Introduction to Graphene Electronics -- A New Era of Digital Transistors and Devices
• One-dimensional sawtooth and zigzag lattices for ultracold atoms
• Merging GW with DMFT and non-local correlations beyond
• Spin Orbit Coupling in Graphene Induced by Heavy Adatoms with Electrons in the Outer-Shell $p$ Orbitals
• Dirac boundary condition at the reconstructed zigzag edge of graphene
• Topological phase transition in a generalized Kane-Mele-Hubbard model: A combined Quantum Monte Carlo and Green's function study
• Edge magnetization and local density of states in chiral nanoribbons
• Dirac point metamorphosis from third-neighbor couplings in graphene
• Interaction effects on topological phase transitions via numerically exact quantum Monte Carlo calculations
• Cellular dynamical mean-field theory study of an interacting topological honeycomb lattice model at finite temperature
• Spin waves in ultrathin ferromagnetic overlayers
• Incommensurate quantum-size oscillations in acene-based molecular wires - effects of quantum fluctuations
• Zero-field and time-reserval-symmetry-broken topological phase transitions in graphene
• Correlations and Renormalization of the Electron-Phonon Coupling in the Honeycomb Hubbard Ladder and Superconductivity in Polyacene
• Quantum phase transitions in effective spin-ladder models for graphene zigzag nanoribbons
• Spatial structure of correlations around a quantum impurity at the edge of a two-dimensional topological insulator
• Controllable Spin-Charge Transport in Strained Graphene Nanoribbon Devices

Cited by in corpus (3)

• Spin-valley polarized edge states and quantum anomalous Hall states controlled by side potential in 2D honeycomb lattices
• Ground-state properties of the narrowest zigzag graphene nanoribbon from quantum Monte Carlo and comparison with density functional theory
• Particle-hole symmetry broken solutions in graphene nanoribbons: a multi-orbital, mean-field perspective