Related papers: Giant edge state splitting at atomically precise z…
Two-dimensional Floquet systems consisting of irradiated valley-polarized metal are investigated. For the corresponding static systems, we consider two graphene models of valley-polarized metal with either a staggered sublattice or uniform…
Motivated by the recent synthesis of single layer TiSe2 , we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair- edged nanoribbons of this material.…
We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of…
This comprehensive study investigates charge transport through the multiple end zigzag edge states of finite-size armchair graphene nanoribbons/boron nitride nanoribbons (n-AGNR/w-BNNR) junctions under a longitudinal electric field, where n…
Junctions composed of two crossed graphene nanoribbons (GNRs) have been theoretically proposed as electron beam splitters where incoming electron waves in one GNR can be split coherently into propagating waves in \emph{two} outgoing…
The significant electron-electron interactions that characterize the {\pi}-electrons of graphene nanoribbons (GNRs) necessitate going beyond one-electron tight-binding description. Existing theories of electron-electron interactions in GNRs…
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…
The topological properties of electronic edge states in time-periodically driven spatially-periodic corrugated zigzag graphene nanoribbons are studied. An effective one-dimensional Hamiltonian is used to describe the electronic properties…
We analyse the electrical response of narrow graphene nanogaps in search for transport signatures stemming from spin-polarized edge states. We find that the electrical transport across graphene nanogaps having perfectly defined zigzag edges…
Graphene ripples possess peculiar essential properties owing to the strong chemical bonds, as an investigation using first principle calculations clearly revealed. Various charge distributions, bond lengths, energy bands, and densities of…
Based on first-principles density-functional theory calculations, we present a comparative study of the elec- tronic structures of ultranarrow zigzag graphene nanoribbons (ZGNRs) embedded in hexagonal boron nitride (BN) sheet and fully…
We study the electronic structure of heterostructures formed by a graphene nanoribbon (GNR) and a transition metal dichalcogenides (TMD) monolayer using first-principles. We consider both semiconducting TMDs and metallic TMDs, and different…
First-principles and semi-empirical tight binding calculations were performed to understand the adsorption of oxygen on the surface of two dimensional (2D) and zigzag stanene nano-ribbons. The intrinsic spin-orbit interaction is considered…
The practical realization of nano-scale electronics faces two major challenges: the precise engineering of the building blocks and their assembly into functional circuits. In spite of the exceptional electronic properties of carbon…
The alkali-adsorbed graphene nanoribbons exhibit the feature-rich electronic and magnetic properties. From the first-principles calculations, there are only few adatom-dominated conduction bands, and the other conduction and valence bands…
Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can…
We study the magnetic properties of nanometer-sized graphene structures with triangular and hexagonal shapes terminated by zig-zag edges. We discuss how the shape of the island, the imbalance in the number of atoms belonging to the two…
We derive a model of localized edge states in the finite width strip for two-dimensional electron gas formed in the hybrid system of bismuth monolayer deposited on the silicon interface and described by the nearly-free electron model with…
An intense laser field in the high-frequency regime drives carriers in graphene nanoribbons (GNRs) out of equilibrium and creates topologically-protected edge states. Using Floquet theory on driven GNRs, we calculate the time evolution of…
Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…