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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…
Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially)…
Two-dimensional graphene exhibits many fascinating properties such as ballistic electronic conduction and quantum Hall effect at room temperature.1-4 Graphene doped electrochemically or through charge-transfer with electron-donor and…
Zigzag graphene nanoribbons can have magnetic ground states with ferromagnetic, antiferromagnetic, or canted configurations, depending on carrier density. We show that an electric field directed across the ribbon alters the magnetic state,…
Using a continuum Dirac theory, we study the density and spin response of zigzag edge terminated graphene ribbons subjected to edge potentials and Zeeman fields. Our analytical calculations of the density and spin responses of the closed…
The design and fabrication of robust metallic states in graphene nanoribbons (GNRs) is a significant challenge since lateral quantum confinement and many-electron interactions tend to induce electronic band gaps when graphene is patterned…
In this study, we analyze the band structure, the state characterization, and electronic transport of monolayer black phosphorus (phosphorene) zigzag nanoribbons (zPNRs) and armchair nanoribbons (aPNRs), using five-parameter tight-binding…
In this study, we investigate the electronic and magnetic properties of graphane nanoribbons. We find that zigzag and armchair graphane nanoribbons with H-passivated edges are nonmagnetic semiconductors. While bare armchair ribbons are also…
We numerically compute the density of states (DOS) of interacting disordered zigzag graphene nanoribbon (ZGNR) having midgap states showing $e/2$ fractional edge charges. The computed Hartree-Fock DOS is linear at the critical disorder…
Finite graphene nanoribbon (GNR) heterostructures host intriguing topological in-gap states (Rizzo, D. J. et al.~\textit{Nature} \textbf{2018}, \textit{560}, 204]). These states may be localized either at the bulk edges, or at the ends of…
Graphene nanoribbons with zigzag terminated edges have a magnetic ground state characterized by edge ferromagnetism and antiferromagnetic inter edge coupling. This broken symmetry state is degenerate in the spin orientation and we show…
Zigzag nanoribbons of monolayer graphene-like two-dimensional materials host spontaneous edge magnetism at the zigzag terminations, whose configuration controls the band gap. In this article, the edge magnetism of zigzag nanoribbons of…
We study narrow zigzag graphene nanoribbons (ZGNRs), employing density functional theory (DFT) simulations and the tight-binding (TB) method. The main result of these calculations is the braiding of the conduction and valence bands,…
The electronic and magnetic properties of ZrS2 nanoribbons (NRs) are investigated based on the first-principles calculations. It is found that the ZrS2 NRs with armchair edges are all indirect-band-gap semiconductors without magnetism and…
Graphene nanoribbons (GNRs) are promising two-dimensional materials with various technological applications, in particular for the armchair GNR families that have a semiconductor character. Recently, methods that allowed for the control of…
Metallic graphene nanoribbons (GNRs) represent a critical component in the toolbox of low-dimensional functional materials technolo-gy serving as 1D interconnects capable of both electronic and quantum information transport. The structural…
Graphene has attracted a great interest in material science due to its novel electronic structrues. Recently, magnetism discovered in graphene based systems opens the possibility of their spintronics application. This paper provides a…
Two-dimensional (2D) quartic dispersion materials are known to develop magnetization upon doping. Here we conduct a systematic investigation of magnetization in hole-doped quartic dispersion materials (GaS, InSe, TiO$_{2}$), focusing on the…
Using non-equilibrium Green's function formalism, we investigate nonlinear transport and charging effects of gated graphene nanoribbons (GNRs) with even number of zigzag chains. We find a negative differential resistance (NDR) over a wide…