Related papers: Graphene zigzag ribbons, square lattice models and…
In this work we have investigated the mechanical properties and fracture patterns of some graphene nanowiggles (GNWs). Graphene nanoribbons are finite graphene segments with a large aspect ratio, while GNWs are nonaligned periodic…
We have developed a new global optimization method for the determination of interface structure based on the differential evolution algorithm. Here, we applied this method to search for the ground state atomic structures of the grain…
The Y-chart is a powerful tool for understanding the relationship between various views (behavioral, structural, physical) of a system, at different levels of abstraction, from high-level, architecture and circuits, to low-level, devices…
We employ the formalism of bond currents, expressed in terms of the nonequilibrium Green functions, to image the charge flow between two sites of the honeycomb lattice of graphene ribbons of few nanometers width. In sharp contrast to…
An exact description of $\pi$ electrons based on the tight-binding model of graphene as an alternant, plane macromolecule is presented. The model molecule can contain an arbitrary number of benzene rings and has armchair- and zigzag-shaped…
We investigate chiral graphene nanoribbons using projective quantum Monte Carlo simulations within the local Hubbard model description and study the effects of electron-electron interactions on the electronic and magnetic properties at the…
We present self-consistent calculations of electron transport in graphene nanoconstrictions within the Hartree approximation. We consider suspended armchair ribbons with V-shaped constrictions having perfect armchair or zigzag edges as well…
The electronic states on a finite width $\alpha-\mathcal{T}_3$ ribbon in a magnetic field are studied in the framework of low-energy effective theory. Both zigzag and armchair types of boundary conditions are analyzed. The analytical…
Persistent currents and transport properties are investigated for the nano-graphite ribbons with zigzag shaped edges with paying attention to system length $L$ dependence. It is found that both the persistent current in the isolated ring…
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…
Accurate modeling of the pi-bands of armchair graphene nanoribbons (AGNRs) requires correctly reproducing asymmetries in the bulk graphene bands as well as providing a realistic model for hydrogen passivation of the edge atoms. The commonly…
Magnetic order emerging in otherwise non-magnetic materials as carbon is a paradigmatic example of a novel type of s-p electron magnetism predicted to be of exceptional high-temperature stability. It has been demonstrated that atomic scale…
We introduce a minimum tight-binding model with only three parameters extracted from graphene and untwisted bilayer graphene. This model reproduces quantitatively the electronic structure of not only these two systems and bulk graphite near…
We present an elaborate and systematic study of the conductance properties of a zigzag bilayer graphene nanoribbon modeled by a Kane-Mele (KM) Hamiltonian. The interplay of the Rashba and the intrinsic spin-orbit couplings with the edge…
We analyze theoretically 4-terminal electronic devices composed of two crossed graphene nanoribbons (GNRs) and show that they can function as beam splitters or mirrors. These features are identified for electrons in the low-energy region…
We investigate the spin-polarized ballistic transport in a three-terminal Zigzag graphene nanoribbon (ZGNR) device using a tight binding model, non-equilibrium Green function formalism within the Landauer-B\"{u}ttiker framework. We study…
We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding…
The fermion-doubling problem can be an obstacle to getting half-a-qubit in two-dimensional fermionic tight-binding models in the form of Majorana zero modes bound to the core of superconducting vortices. We argue that the number of such…
In contrast to the well recognized transverse-electric-field-induced half-metallicity in zigzag graphene nanoribbons, here we demonstrate by first-principles calculations that zigzag graphene nanoribbons sandwiched between hexagonal boron…
Sublattices A and B are opposite in the decay direction of the edge state of the zigzag graphene ribbon (ZGR). Detecting exponential growth from the zigzag edges to the ZGR center remains challenging. The tight-binding model calculations in…