Related papers: Stabilized silicene within bilayer graphene: A pro…
Confinement epitaxy beneath graphene stabilizes exotic material phases by restricting vertical growth and altering lateral diffusion, conditions unattainable on bare substrates. However, achieving long-range interfacial order while…
There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic…
We have studied solid hydrogen up to pressures of 300 GPa and temperatures of 350 K using density functional theory methods and have found "mixed structures" that are more stable than those predicted earlier. Mixed structures consist of…
Twisted bilayer materials have attracted tremendous attention due to their unique and novel properties. Here, we derive a thermodynamic model for twisted bilayer graphene (tBLG) within the framework of the classical statistical mechanics,…
We review analytical and numerical studies of correlated insulating states in twisted bilayer graphene, focusing on real-space lattice models constructions and their unbiased quantum many-body solutions. We show that by constructing…
Manipulating the circular polarization of light is of great importance in chemistry and biology, as chiral molecules exhibit different physiological properties when exposed to different circularly polarized waves. Here we suggest a…
We present a detailed study of the electronic and spin-orbit properties of single and bilayer graphene in proximity to the topological insulator Bi$_2$Se$_3$. Our approach is based on first-principles calculations, combined with symmetry…
In this contribution we present the results of Density-Functional Theory (DFT) calculations of platelets as modelled by infinite planar arrangements of hydrogen atoms and vacancies in (100) planes of silicon. From the observation of the…
We consider the electronic structure of a slightly twisted graphene bilayer and show the coexistence of van Hove singularities (VHSs) and superlattice Dirac points in a continuum approximation. The graphene-on-graphene moir\'e pattern gives…
The experimental control over the twist angle in twisted bilayer graphene has not been reported and its realistic structure is most likely incommensurate. In this paper, we develop a tight-binding virtual crystal approximation theory to…
Scanning tunneling microscopy (STM) images are obtained for the first time on few layer and twisted multilayer epitaxial graphene states synthesized on n+ 6H-SiC a-plane non-polar surface. The twisted graphene is determined to have a…
Quantum confined devices that manipulate single electrons in graphene are emerging as attractive candidates for nanoelectronics applications. Previous experiments have employed etched graphene nanostructures, but edge and substrate disorder…
Using a first-principles total energy methodology, we investigated the properties of graphene-like carbon mono and bilayers, functionalized with nitrogen and boron atoms. The resulting stable structures were explored in terms of their…
Predictive first-principles calculations suggest graphitic-like GaN to be theoretically possible. Thus far, it has not been experimentally reported. We report on GaN monolayer in a buckled geometry obtained in confinement at graphene/SiC…
We model the optical visibility of monolayer and bilayer graphene deposited on a silicon/silicon oxide substrate or thermally annealed on the surface of silicon carbide. We consider reflection and transmission setups, and find that…
Experiments on bilayer graphene unveiled a fascinating realization of stacking disorder where triangular domains with well-defined Bernal stacking are delimited by a hexagonal network of strain solitons. Here we show by means of numerical…
We report on an investigation of quasi-free-standing graphene on 6H-SiC(0001) which was prepared by intercalation of hydrogen under the buffer layer. Using infrared absorption spectroscopy we prove that the SiC(0001) surface is saturated…
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…
We predict the stabilities of \alpha-graphynes and their boron nitride analogues(\alpha-BNyne), which are considered as competitors of graphene and two-dimensional hexagonal BN. Based on first-principles plane wave method, we investigated…
The recent discovery of correlated insulator states and superconductivity in magic-angle twisted bilayer graphene has paved the way to the experimental investigation of electronic correlations in tunable flat band systems realized in…