Related papers: Ground state of graphite ribbons with zigzag edges
We have carried out an ab initio study of the structural, electronic and magnetic properties of zigzag graphene nanoribbons on Cu(111), Ag(111) and Au(111). Both, H-free and H-terminated nanoribbons are considered revealing that the…
The zigzag edge of a graphene nanoribbon possesses a unique electronic state that is near the Fermi level and localized at the edge carbon atoms. We investigate the chemical reactivity of these zigzag edge sites by examining their reaction…
We investigate the effects of randomly distributed atomic defects on the magnetic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. For a balanced defect distribution among the sublattices of…
We study the properties of edge states in in-plane heterostructures made of adjacent zigzag graphene and BN ribbons. While in pure zigzag graphene nanoribbons, gapless edge states are nearly flat and cannot contribute significantly to the…
Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…
Armchair graphene nanoribbons, when forming a superlattice, can be classified in different topological phases, with or without edge states. By means of tight-binding and classical molecular dynamics (MD) simulations, we studied the…
The competing ground states of bilayer graphene are studied by applying renormalization group techniques to a bilayer honeycomb lattice with nearest neighbor hopping. In the absence of interactions, the Fermi surface of this model at…
We investigate spin transport in diffusive graphene nanoribbons with both clean and rough zigzag edges, and long-range potential fluctuations. The long-range fields along the ribbon edges cause the local doping to come close to the charge…
In this article, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab-initio calculations of very narrow…
A graphene nano-ribbon with armchair edges is known to have no edge state. However, if the nano-ribbon is in the quantum spin Hall (QSH) state, then there must be helical edge states. By folding a graphene ribbon to a ring and threading it…
We study edges states of graphene ribbons in the quantized Hall regime, and show that they can be described within a continuum model (the Dirac equation) when appropriate boundary conditions are adopted. The two simplest terminations,…
We investigate the phase diagram of spinless fermions on a square lattice with nearest-neighbor interaction, using the recently developed projective truncation approximation in Green's function equation of motion. For attractive…
The edge reconstruction of zigzag graphene nanoribbons to a stable line of alternatively fused seven and five membered rings with hydrogen passivation has been studied within density functional theory with both localized and extended basis…
Boundary conditions for the two-dimensional fermions in ribbons of the hexagonal lattice are studied in the dice model whose energy spectrum in infinite system consists of three bands with one completely flat band of zero energy. Like in…
We perform density functional calculations on one-dimensional zigzag edge graphene nano-ribbons (ZGNRs) of different widths, with and without edge doping including semi-local exchange-correlations. Our study reveals that, although the…
We report energy estimated to dissociate a C-C bond of a graphene sheet to form nanoribbons of armchair and zigzag configurations using first principles calculations. For the ground state energy calculations, the configurations considered…
Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…
We investigated the reduction of the spin stiffness and the appearance of the spiral spin density waves when the electric field is applied on the zigzag graphene nanoribbons for the ferromagnetic and antiferromagnetic edge states. For that…
Knowledge of the topology of the electronic ground state of materials has led to deep insights to novel phenomena such as the integer quantum Hall effect and fermion-number fractionalization, as well as other properties of matter. Joining…
Thermoelectric properties of finite graphene nanoribbons (GNRs) coupled to metallic electrodes are theoretically studied in the framework of tight-binding model and Green's function approach. When the zigzag sides are coupled to the…