Related papers: Engineering spin exchange in non-bipartite graphen…
An interesting property of zigzag graphene nanoribbons is the presence of edge states which are extended along its borders but localized in the transverse direction. We show that because of this property, electron transport through an…
Properties of bulk and boundaries of materials can, in general, be quite different, both for topological and non-topological reasons. One of the simplest boundary problems to pose is the tight-binding problem of noninteracting electrons on…
We investigate how parameters of the model of semi-infinite graphene based on a graphene nanoribbon under periodic boundary conditions affect the accuracy of ab initio calculations of reactions at graphene edges by the example of the first…
It is shown that apart from well-known factors, like temperature, substrate, and edge reconstruction effects, also the presence of external contacts is destructive for the formation of magnetic moments at the edges of graphene nanoribbons.…
Coherent spin-dependent transport through a junction containing of Normal/Ferromagnetic/Normal bilayer graphene nanoribbon with zigzag edges is investigated by using Landauer formalism. In a more realistic set-up, the exchange field is…
The independent predictions of edge ferromagnetism and the Quantum Spin Hall phase in graphene have inspired the quest of other two dimensional honeycomb systems, such as silicene, germanene, stanene, iridiates, and organometallic lattices,…
Systematic tight-binding investigations of the electronic spectra (as a function of the magnetic field) are presented for trigonal graphene nanoflakes with reconstructed zigzag edges, where a succession of pentagons and heptagons, that is…
We study the electronic structure of chiral and achiral graphene nanoribbons with symmetric edges, including curvature and spin-orbit effects. Curved ribbons show spin-split bands, whereas flat ribbons present spin-degenerate bands. We show…
Matrix elements of electron-light interactions for armchair and zigzag graphene nanoribbons are constructed analytically using a tight-binding model. The changes in wavenumber ($\Delta n$) and pseudospin are the necessary elements if we are…
We use quantum Monte Carlo method to study the indirect coupling between two magnetic impurities on the zigzag edge of graphene ribbon, with respect to the chemical potential $\mu$. We find that the spin-spin correlation between two adatoms…
Zigzag edges of the honeycomb structure of graphene exhibit magnetic polarization making them attractive as building blocks for spintronic devices. Here, we show that devices with zigzag edged triangular antidots perform essential…
Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag graphene nanoribbons with highly tunable spin-dependent…
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…
Zigzag edges of graphene nanostructures host localized electronic states that are predicted to be spin-polarized. However, these edge states are highly susceptible to edge roughness and interaction with a supporting substrate, complicating…
We present a new way of nano-engineering graphene using defect domains. These regions have ring structures that depart from the usual honeycomb lattice, though each carbon atom still has three nearest neighbors. A set of stable domain…
Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…
Optical selection rules for one-dimensional graphene nanoribbons are analytically studied and clarified based on the tight-binding model. A theoretical explanation, through analyzing the velocity matrix elements and the features of…
Presence of flat bands and edge states at the Fermi level in graphene nanoribbons with zigzag edges is one of the most interesting and attracting properties of nanocarbon materials but it is believed that they are quite fragile states and…
In this study, we investigate the isolated magnetic interactions between two identical Fe atoms divacantly-substituted into graphene. Using density functional theory, we simulated the electronic and magnetic properties for a supercell of…
Electronic structures of the zigzag bilayer graphite nanoribbons(Z-BGNR) with various ribbon width $N$ are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude $\gamma_4$, which is an order of…