Related papers: Interface states at the boundary between ABC and A…
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…
We study the effect of perpendicular electric fields on the band structures of ABA and ABC graphene multilayers, and find that the electronic screening effect is significantly different between them. In ABA multilayers, the field produces a…
The edge states in the hybrid system of single-layer and double-layer graphene are studied in the tight-binding model theoretically. The edge states in one side of the interface between single-layer and double-layer graphene are shown to…
We study edges states of graphene ribbons in the quantized Hall regime, and show that they can be described within a continuum model (the Dirac equation) when appropriate boundary conditions are adopted. The two simplest terminations,…
The domain walls between AB- and BA-stacked gapped bilayer graphene have garnered intense interest as they host topologically-protected, valley-polarised transport channels. The introduction of a twist angle between the bilayers and the…
A DFT-based investigation of rhombohedral (ABC)-type graphene stacks in finite static electric fields is presented. Electronic band structures and field-induced charge densities are compared with related literature data as well as with own…
The formation of image-potential states at the interface between a graphene layer and a metal surface is studied by means of model calculations. An analytical one-dimensional model-potential for the combined system is constructed and used…
Consider the tight binding model of graphene, sharply terminated along an edge ${\bf l}$ parallel to a direction of translational symmetry of the underlying period lattice. We classify such edges ${\bf l}$ into those of "zigzag type" and…
We study the electronic structure of the junctions between a single graphene layer and carbon nanotubes, using a tight-binding model and the continuum theory based on Dirac fermion fields. The latter provides a unified description of…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
We investigate the emergence and topological nature of interface states (IFs) in N-AGNR/$(N-2)$-AGNR/N-AGNR heterostructure (AGNRH) segments lacking translational symmetry, focusing on their relation to the end states (ESs) of the…
We study a family of globally smooth spatially varying two dimensional stacking textures in bilayer graphene. We find that the strain-minimizing stacking patterns connecting inequivalent ground states with local $AB$ and $BA$ interlayer…
Graphene, defined as a single atomic plane of graphite, is a semimetal with small overlap between the valence and the conduction bands. The stacking of graphene up to several atomic layers can produce diverse physical properties, depending…
The family of moir\'e materials provides a powerful platform for tuning interlayer couplings via the twist angle in systems with large spatial periodicity. In trilayer graphene systems, interlayer couplings at the two interfaces can…
Strain has been extensively employed to tailor graphene's properties and has emerged as a powerful tool for engineering gauge fields and exploring fundamental phenomena in artificial platforms like photonic graphene. Here we discover that,…
Graphene multilayers exhibit electronic spectra that depend sensitively on both the number of layers and their stacking order. Beyond trilayer graphene, mixed stacking sequences (alternating Bernal and rhombohedral layers) give rise to…
Flat bands in graphitic materials emerged as a platform for realizing tunable correlated physics. As a nodal-line semimetal, rhombohedral graphite features flat drumhead surface states in the vicinity of the Dirac points, which carry a…
We calculate the band structure and the conductance of periodic corrugated graphene nanoribbons within the framework of the tight-binding $p$-orbital model. We consider corrugated structures based on host ribbons with armchair and zigzag…
We theoretically investigate the stability and transport properties of topological interface states (IFs) in 9-7-9 and 15-13-15 armchair graphene nanoribbon heterostructures (AGNRHs) laterally embedded in boron nitride (BN) sheets. Two…
We analyze a class of bound defect states in the continuum electronic spectrum of bilayer materials, which emerge independent of symmetry protection or additional degrees of freedom. Taking graphene as a prototypical example, our…