Electronic States and Local Density of States Near Graphene Corner Edge (original) (raw)
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Electronic States and Local Density of States in Graphene with a Corner Edge Structure
Journal of The Physical Society of Japan, 2011
We study electronic states of semi-infinite graphene with a corner edge, focusing on the stability of edge localized states at zero energy. The 60{\deg}, 90{\deg}, 120{\deg} and 150{\deg} corner edges are examined. The 60{\deg} and 120{\deg} corner edges consist of two zigzag edges, while 90{\deg} and 150{\deg} corner edges consist of one zigzag edge and one armchair edge. We numerically obtain the local density of states (LDOS) on the basis of a nearest-neighbor tight-binding model by using Haydock's recursion method. We show that edge localized states appear along a zigzag edge of each corner edge structure except for the 120{\deg} case. To provide insight into this behavior, we analyze electronic states at zero energy within the framework of an effective mass equation. The result of this analysis is consistent with the behavior of the LDOS.
Decay behavior of localized states at reconstructed armchair graphene edges
Physical Review B, 2013
Density functional theory calculations are used to investigate the electronic structures of localized states at reconstructed armchair graphene edges. We consider graphene nanoribbons with two different edge types and obtain the energy band structures and charge densities of the edge states. By examining the imaginary part of the wavevector in the forbidden energy region, we reveal the decay behavior of the wavefunctions in graphene. The complex band structures of graphene in the armchair and zigzag directions are presented in both tight-binding and first-principles frameworks.
Localized States at Zigzag Edges of Bilayer Graphene
Physical Review Letters, 2008
We report the existence of zero energy surface states localized at zigzag edges of bilayer graphene. Working within the tight-binding approximation we derive the analytic solution for the wavefunctions of these peculiar surface states. It is shown that zero energy edge states in bilayer graphene can be divided into two families: (i) states living only on a single plane, equivalent to surface states in monolayer graphene; (ii) states with finite amplitude over the two layers, with an enhanced penetration into the bulk. The bulk and surface (edge) electronic structure of bilayer graphene nanoribbons is also studied, both in the absence and in the presence of a bias voltage between planes.
Edge States and Stacking Effects in Nanographene Systems
Journal of Superconductivity and Novel Magnetism, 2011
Bilayer graphene nanoribbon with a zigzag edge is investigated with the tight binding model. Two stacking structures, α and β, are considered. The band splitting is seen in the α structure, while the splitting in the wave number direction is found in the β structure. The local density of states in the β structure tend to avoid sites where inter-layer hopping interactions are present.
Interplay between edge states and simple bulk defects in graphene nanoribbons
The European Physical Journal B, 2013
We study the interplay between the edge states and a single impurity in a zigzag graphene nanoribbon. We use tight-binding exact diagonalization techniques, as well as density functional theory calculations to obtain the eigenvalue spectrum, the eigenfunctions, as well the dependence of the local density of states (LDOS) on energy and position. We note that roughly half of the unperturbed eigenstates in the spectrum of the finite-size ribbon hybridize with the impurity state, and the corresponding eigenvalues are shifted with respect to their unperturbed values. The maximum shift and hybridization occur for a state whose energy is inverse proportional to the impurity potential; this energy is that of the impurity peak in the DOS spectrum. We find that the interference between the impurity and the edge gives rise to peculiar modifications of the LDOS of the nanoribbon, in particular to oscillations of the edge LDOS. These effects depend on the size of the system, and decay with the distance between the edge and the impurity.
Electron and phonon states localized near the graphene boundary
Low Temperature Physics, 2017
We perform analytical and numerical analysis of the electronic and phonon spectrum evolution of graphene during formation of a boundary with a “zigzag” chirality. It is determined, that the excited gap wave has a relativistic dispersion near the Fermi level that propagates along the boundary and decays with distance from it. Both properties and formation of the wave is considered. It is shown that the wave propagation occurs only along the atoms of the sub-lattice, which contains atoms with bonds broken during the boundary formation. The gap wave forms narrow resonance peaks in the local density of states of the sublattice atoms. It is shown, that the boundary formation on a graphene layer with this chirality similarly affects the phonon modes polarized normal to the layer, forming narrow maxima with frequencies nearing that of the quasiflexural phonons with the quasiwave vector at the K-point of the first Brillouin zone. This way, the formation of the “zigzag”-boundary increases bo...
Edge states and flat bands in graphene nanoribbons with arbitrary geometries
Physical Review B, 2011
We prescribe general rules to predict the existence of edge states and zero-energy flat bands in graphene nanoribbons and graphene edges of arbitrary shape. No calculations are needed. For the so-called minimal edges, the projection of the edge translation vector into the zigzag direction of graphene uniquely determines the edge bands. By adding extra nodes to minimal edges, arbitrary modified edges can be obtained. The edge bands of modified graphene edges can be found by applying hybridization rules of the extra atoms with the ones belonging to the original edge. Our prescription correctly predicts the localization and degeneracy of the zero-energy bands at one of the graphene sublattices, confirmed by tight-binding and first-principle calculations. It also allows us to qualitatively predict the existence of E = 0 bands appearing in the energy gap of certain edges and nanoribbons.
Physical Review B, 2008
We have studied zigzag and armchair graphene nano ribbons (GNRs), described by the Hubbard Hamiltonian using quantum many body configuration interaction methods. Due to finite termination, we find that the bipartite nature of the graphene lattice gets destroyed at the edges making the ground state of the zigzag GNRs a high spin state, whereas the ground state of the armchair GNRs remains a singlet. Our calculations of charge and spin densities suggest that, although the electron density prefers to accumulate on the edges, instead of spin polarization, the up and down spins prefer to mix throughout the GNR lattice. While the many body charge gap results in insulating behavior for both kinds of GNRs, the conduction upon application of electric field is still possible through the edge channels because of their high electron density. Analysis of optical states suggest differences in quantum efficiency of luminescence for zigzag and armchair GNRs, which can be probed by simple experiments.