Related papers: Tunable skewed edges in puckered structures
Inspired by recent progress in fabricating precisely zigzag-edged graphene nanoribbons and the observation of edge magnetism, we find that spin polarized edge modes with well-defined valley index can exist in a bulk energy gap opened by a…
Angular perturbations modify the band structure of armchair (and other metallic) carbon nanotubes by breaking the tube symmetry and may induce a metal-semiconductor transition when certain selection rules are satisfied. The symmetry…
Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons show interesting properties due to reduced dimensionality, quantum confinement, and edge states. Tang et…
We present a first-principles theoretical study of electric field-and strain-controlled intrinsic half-metallic properties of zigzagged aluminium nitride (AlN) nanoribbons. We show that the half-metallic property of AlN ribbons can undergo…
We report on the possibility for a spin valve effect driven by edge defect engineering of zigzag graphene nanoribbons. Based on a mean-field spin unrestricted Hubbard model, electronic band structures and conductance profiles are derived,…
Hexagonal boron nitride is an ideal dielectric to form two-dimensional heterostructures due to the fact that it can be exfoliated to be just few atoms thick and its a very low density of defects. By placing graphene nanoribbons on high…
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…
We report on the configurations and electronic properties of graphyne and graphdiyne nanoribbons with armchair and zigzag edges investigated with first principles calculations. Our results show that all the nanoribbons are semiconductors…
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…
This work presents the electronic and transport properties of bilayer borophene nanoribbons. In the first part, a four-orbital tight-binding model is derived by fitting the \emph{ab initio} band structure. The transport properties of…
Based on the Cluster Perturbation solution of the Hubbard hamiltonian for a 2-D honeycomb lattice we present quasiparticle band structures of nanoribbons at half filling as a function of the on-site electron-electron repulsion. We show that…
Realizing magnetism in graphene/carbon nanostructures is a decade-long challenge. The magnetic edge state and half metallicity in zigzag graphene nanoribbons are particularly promising [Y.-W. Son, et al., Nature 444, 347 (2006)]. However,…
We report a first-principles electronic-structure calculation on C and BN hybrid zigzag nanoribbons. We find that half-metallicity can arise in the hybrid nanoribbons even though stand-alone C or BN nanoribbon possesses a finite band gap.…
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…
The honeycomb lattice in the cylinder geometry with zigzag edges, bearded edges, zigzag and bearded edges (zigzag-bearded), and armchair edges are studied. The tight-binding model with nearest-neighbor hoppings is used. Edge states are…
We theoretically study the electronic properties of BC2N nanoribbons with zigzag edges using a tight binding model. We show that the zigzag BC2N nanoribbons have the flat bands and edge states when atoms are arranged as B-C-N-C along the…
Conductance fluctuations produced by the presence of disorder in zigzag and armchair graphene nanoribbons are studied. We show that quantum transport in zigzag nanoribbons takes place via edge states which are exponentially localized, as in…
Graphene nanoribbons (GNR) in mutually perpendicular electric and magnetic fields are shown to exhibit dramatic changes in their band structure and electron transport properties. A strong electric field across the ribbon induces multiple…
We perform first-principles calculations based on density functional theory to study quasi one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons (ZGNRs) of various widths with chemical dopants, boron and nitrogen,…
We have studied the topological properties of free standing Sn doped cadmium chalcogenide (CdSnX, X = S, Se and Te) nanoribbons of varying widths and three types of edges viz., distorted armchair, normal armchair and normal zigzag edges.…