相关论文: Knock-on damage in bilayer graphene: indications f…

We have used ab initio density functional theory, incorporating van der Waals corrections, to study twisted bilayer graphene (TBLG) where Stone-Wales defects or monovacancies are introduced in one of the layers. We compare these results to…

We consider the orbital effect of an in-plane magnetic field on electrons in bilayer graphene, deriving linear-in-field contributions to the low-energy Hamiltonian arising from the presence of either skew interlayer coupling or interlayer…

While the exponential decay of tunneling probability with barrier thickness is well known, the accompanying oscillations with thickness have been comparatively less explored. Using a tight binding model, we investigate an AB-stacked bilayer…

Spontaneous symmetry-breaking, where the ground state of a system has lower symmetry than the underlying Hamiltonian, is ubiquitous in physics. It leads to multiply-degenerate ground states, each with a different "broken" symmetry labeled…

The potential energy surface (PES) of interlayer interaction of twisted bilayer graphene with vacancies in one of the layers is investigated via density functional theory (DFT) calculations with van der Waals corrections. These calculations…

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…

We describe how the out-of-plane dielectric polarizability of monolayer graphene influences the electrostatics of bilayer graphene -- both Bernal (BLG) and twisted (tBLG). We compare the polarizability value computed using density…

In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger…

Density functional perturbation theory is used to analyze electron-phonon interaction in bilayer graphene. The results show that phonon scattering in bilayer graphene bears more resemblance with bulk graphite than monolayer graphene. In…

Using in situ low-energy electron microscopy and density functional theory, we studied the growth structure and work function of bilayer graphene on Pd(111). Low-energy electron diffraction analysis established that the two graphene layers…

We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…

Crystal fields occur due to a potential difference between chemically different atomic species. In Van-der-Waals heterostructures such fields are naturally present perpendicular to the planes. It has been realized recently that twisted…

Electronic properties of bilayer and multilayer graphene have generally been interpreted in terms of AB or Bernal stacking. However, it is known that many types of stacking defects can occur in natural and synthetic graphite; rotation of…

Bilayer graphene -- two coupled single graphene layers stacked as in graphite -- provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how…

A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the charge carriers. Using scanning tunneling microscopy and…

We report on the observation of the ratchet effect -- generation of direct electric current in response to external terahertz (THz) radiation -- in bilayer graphene, where inversion symmetry is broken by an asymmetric dual-grating gate…

Graphene, as an atomic-thick ultrasoft membrane, almost has no resistance against out-of-plane deformations and, therefore, it is always wrinkled to a certain degree. Recently, corrugated structures and their effects on the electronic…

We theoretically calculate the interaction-induced frictional Coulomb drag resistivity between two graphene monolayers as well as between two graphene bilayers, which are spatially separated by a distance "$d$". We show that the drag…

High mobility single and few-layer graphene sheets are in many ways attractive as nanoelectronic circuit hosts but lack energy gaps, which are essential to the operation of field-effect transistors. One of the methods used to create gaps in…

Density functional theory (DFT) is widely used to study defects in monolayer graphene with a view to applications ranging from water filtration to electronics to investigation of radiation damage in graphite moderators. To assess the…