Related papers: Reversible modifications of linear dispersion - gr…
We investigated a suspended bilayer graphene where the bottom (top) layer is doped by boron (nitrogen) substitutional atoms by using Density Functional Theory (DFT) calculations. We found that at high dopant concentration (one B-N pair…
Double layer graphene is a gapless semiconductor which develops a finite gap when the layers are placed at different electrostatic potentials. We study, within the tight-biding approximation, the electronic properties of the gaped graphene…
We study the effect of an in-plane magnetic field on the non-interacting dispersion of twisted bilayer graphene. Our analysis is rooted in the chirally symmetric continuum model, whose zero-field band structure hosts exactly flat bands and…
The unusual transport properties of graphene are the direct consequence of a peculiar bandstructure near the Dirac point. We determine the shape of the pi bands and their characteristic splitting, and the transition from a pure 2D to…
Atomically thin hexagonal boron nitride (h-BN), especially monolayer, has garnered increasing attention due to its intriguing optical and light-matter-interaction properties. However, its intrinsic optical properties and electronic band…
We examine the effect of a hexagonal boron nitride (hBN) substrate on electron transport through graphene nanojunctions just before gap formation. Junctions in vacuum and on hBN are formed using classical molecular dynamics to create…
We review the transmission of Dirac electrons through a potential barrier in the presence of circularly polarized light. A different type of transmission is demonstrated and explained. Perfect transmission for nearly head-on collision in…
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…
Over the years, great efforts have been devoted in introducing a sizable and tunable band gap in graphene for its potential application in next-generation electronic devices. The primary challenge in modulating this gap has been the absence…
Among two-dimensional atomic crystals, hexagonal boron nitride (hBN) is one of the most remarkable materials to fabricate heterostructures revealing unusual properties. We perform first-principles calculations to determine whether…
A first-principles investigation of the electronic properties of boron nitride nanoribbons (BNNRs) having either armchair or zigzag shaped edges passivated by hydrogen with widths up to 10 nm is presented. Band gaps of armchair BNNRs…
We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the…
Bilayer graphene twisted by a small angle shows a significant charge modulation away from neutrality, as the charge in the narrow bands near the Dirac point is mostly localized in the regions of the Moir\'e pattern with $AA$ stacking. The…
Atomically thin boron nitride (BN) nanosheets are important two-dimensional nanomaterials with many unique properties distinct from those of graphene, but the investigation of their mechanical properties still greatly lacks. Here we report…
The electronic properties of moir\'e heterostructures depend sensitively on the relative orientation between layers of the stack. For example, near-magic-angle twisted bilayer graphene (TBG) commonly shows superconductivity, yet a TBG…
We find a systematic reappearance of massive Dirac features at the edges of consecutive minibands formed at magnetic fields B_{p/q}= p\phi_0/(qS) providing rational magnetic flux through a unit cell of the moire superlattice created by a…
Using combination of Density Functional Theory and Monte Carlo simulation, we study the phase stability and electronic properties of two dimensional hexagonal composites of boron nitride and graphene, with a goal to uncover the role of the…
A theory is developed for calculating vertical tunneling current between two sheets of bilayer graphene separated by a thin, insulating layer of hexagonal boron nitride, neglecting many-body effects. Results are presented using physical…
Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the…
Electrostatic gating is pervasive in materials science, yet its effects on the electronic band structure of materials has never been revealed directly by angle-resolved photoemission spectroscopy (ARPES), the technique of choice to…