Related papers: Stacking Order in Graphite Films Controlled by Van…
Graphene on silicon carbide (SiC) bears great potential for future graphene electronic applications because it is available on the wafer-scale and its properties can be custom-tailored by inserting various atoms into the graphene/SiC…
Graph convolutional neural networks (GCNNs) have become a machine learning workhorse for screening the chemical space of crystalline materials in fields such as catalysis and energy storage, by predicting properties from structures.…
Trapped substances between a 2D crystal, such as graphene, and an atomically flat substrate, for example, hexagonal boron nitride, give rise to the formation of bubbles. We show that the size, shape and internal pressure inside these…
Graphene is at the centre of an ever growing research effort due to its unique properties, interesting for both fundamental science and applications. A key requirement for applications is the development of industrial-scale, reliable,…
Trilayer graphene exhibits valley-protected gapless states when the stacking order changes from ABC to CBA and a gate voltage is applied to outer layers. Some of these states survive strong distortions of the trilayer. For example, they…
Here we show that twisted graphene trilayer made by misoriented stacking a graphene monolayer on top of a Bernal graphene bilayer can exhibit rich and tailored electronic properties. For the case that the graphene monolayer and bilayer are…
The creation of van der Waals heterostructures based on a graphene monolayer and other two-dimensional crystals has attracted great interest because atomic registry of the two-dimensional crystals can modify the electronic spectra and…
We numerically study the thermoelectric and thermal transport in trilayer graphene with different stacking orders in the presence of interlayer bias under a strong perpendicular magnetic field. In biased ABA-stacked case, we find that the…
The successful assembly of heterostructures consisting of several layers of different 2D materials in arbitrary order by exploiting van der Waals forces has truly been a game changer in the field of low dimensional physics. For instance,…
We investigate the impact of crystal alignment on excitonic behavior in WSe$_{2}$/MoS$_{2}$ van der Waals heterostructures by comparing eclipsed (AA) and staggered (AB) stacking configurations. Our first-principles and symmetry-based…
Motivated by the recent experimental detection of superconductivity in Bernal bilayer (AB) and rhombohedral trilayer (ABC) graphene, we study the emergence of superconductivity in multilayer graphene based on a Kohn-Luttinger (KL)-like…
The Raman 2D line of graphene is widely used for device characterization and during device fabrication as it contains valuable information on e.g. the direction and magnitude of mechanical strain and doping. Here we present systematic…
A range of twist angles between adjacent surfaces/volumes are intrinsic to natural graphite or artificially design in multi-layer graphene. In addition, stacking faults can be created by the application of mechanic, electric or magnetic…
The electronic properties of a material depend on the spatial freedom of the electron wavefunction. A well-known example is graphite, which is a conventional gapless semiconductor, while a single layer of it, graphene, exhibits extremely…
The diffusion, penetration and intercalation of metallic atomic dopants is an important question for various graphite applications in engineering and nanotechnology. We have performed systematic first-principles calculations of the…
We present a compositional and structural investigation of silicene, germanene, and stanene bilayers from first-principles. Due to the staggering of the individual layers, several stacking patterns are possible, most of which are not…
We investigate interlayer adhesion and relaxation at interfaces between graphene and hexagonal boron nitride (hBN) monolayers in van der Waals heterostructures. The adhesion potential between graphene and hBN is calculated as a function of…
Control over the position, orientation, and stacking order of two-dimensional (2D) materials within van der Waals heterostructures is crucial for applications in electronics, spintronics, optics, and sensing. The most popular strategy for…
Direct, tunable coupling between individually assembled graphene layers is a next step towards designer two-dimensional (2D) crystal systems, with relevance for fundamental studies and technological applications. Here we describe the…
We calculate the conductivity of arbitrarily stacked multilayer graphene sheets within a relaxation time approximation, considering both short-range and long-range impurities. We theoretically investigate the feasibility of identifying the…