Related papers: BF-theory in graphene: a route toward topological …
Using ab initio methods we have investigated the fluorination of graphene and find that different stoichiometric phases can be formed without a nucleation barrier, with the complete "2D-Teflon" CF phase being thermodynamically most stable.…
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…
Intense efforts have been made in recent years to realize nonlinear optical interactions at the single-photon level. Much of this work has focused on achieving strong third-order nonlinearities, such as by using single atoms or other…
Thermal properties of graphene monolayers are studied by path-integral molecular dynamics (PIMD) simulations, which take into account the quantization of vibrational modes in the crystalline membrane, and allow one to consider anharmonic…
The linear energy dispersion of graphene electrons leads to a strongly nonlinear electromagnetic response of this material. We develop a general quantum theory of the third-order nonlinear local dynamic conductivity of graphene…
Graphene bilayers display peculiar electronic and mechanical characteristics associated to their two-dimensional character and relative disposition of the sheets. Here we study nuclear quantum effects in graphene bilayers by using…
Though weak surface interactions and adsorption can play an important role in plasma processing and materials science, they are not necessarily simple to model. A boron adatom adsorbed on a graphene sheet serves as a case study for how…
Neutral-atom quantum hardware has emerged as a promising platform for programmable many-body physics. In this work, we develop and validate a practical framework for extracting thermodynamic properties of materials using such hardware. As a…
The experimental demonstration of pseudo-magnetic fields exceeding 300 T in graphene [2] nanobubbles represents considerable challenge for the present theory connecting the emergence of gauge fields due to strain in the underlying lattice.…
Graphene, a 2-dimensional monolayer form of sp2 hybridizated carbon atoms, is attracting increasing attention due to its unique and superior physicochemical properties. Covalently functionalized graphene layers, with their modifiable…
We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not…
Ubiquitous graphene is a stricly 2D material representing an ideal adsorbing platform due to its large specific surface area as well as its mechanical strength and resistance to both thermal and chemical stresses. However, graphene as a…
Topological quantum numbers are often used to characterise the topological order of phase having protected gapless edge modes when the system is kept in a space with the boundary. The famous examples in this category are the quantized…
A theoretical performance analysis of the graph neural network (GNN) is presented. For classification tasks, the neural network approach has the advantage in terms of flexibility that it can be employed in a data-driven manner, whereas…
The integration of high-k oxide on graphene using atomic layer deposition requires an electrically reliable buffer layer. In this study, Y was selected as the buffer layer due to the highest oxidation ability in rare earth elements and…
This work describes the development of a third-generation charge optimized many-body (COMB3) potential for Al-C and its application to the investigation of aluminum/graphene nanostructures. In particular, the new COMB3 potential was used to…
In this work we will focus on the effects produced by topological disorder on the electronic properties of a graphene plane. The presence of this type of disorder induces curvature in the samples of this material, making quite difficult the…
Phosphorene, a monolayer of black phosphorus (BP), is an elemental two-dimensional material with interesting physical properties, such as high charge carrier mobility and exotic anisotropic in-plane properties. To fundamentally understand…
The most general gauge-invariant marginal deformation of four-dimensional abelian BF-type topological field theory is studied. It is shown that the deformed quantum field theory is topological and that its observables compute, in addition…
Graphene is a monoatomic layer of graphite with Carbon atoms arranged in a two dimensional honeycomb lattice configuration. It has been known for more than sixty years that the electronic structure of graphene can be modelled by…