相关论文: The nature and strength of inter-layer binding in …

Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where long-range moir\'e patterns arise due to small lattice constant…

Water at solid surfaces is key for many processes ranging from biological signal transduction to membrane separation and renewable energy conversion. However, under realistic conditions, which often include environmental and surface charge…

We present a simple group theory explanation of the fact that the energy bands merge in the corners of the Brillouin zone for graphene and for two particular cases of Kagome lattice for arbitrary tight--binding Hamiltonian. We connect the…

We find theoretically energy spectrum of a graphene monolayer in a strong constant electric field using a tight-binding model. Within a single band, we find quantized equidistant energy levels (Wannier-Stark ladder), separated by the Bloch…

Surface/edge energy is typically modeled as a continuous function of orientation, $\gamma({\bf n})$. We put forward a simple geometric argument that suggests this picture is inadequate for crystals with a non-Bravais lattice structure. In…

We present a simple iterative strategy for measuring the connection strength between a pair of vertices in a graph. The method is attractive in that it has a linear complexity and can be easily parallelized. Based on an analysis of the…

The conductivity of graphite is analytically evaluated in the range of 0.1-1.5 eV, where the electron relaxation processes can be neglected, and the low energy excitations at the "Dirac" points are most essential. The value of conductivity…

X-ray photoelectron spectroscopy of graphene is important both for its characterization and as a model for other carbon materials. Despite great recent interest, the intrinsic photoemission of its single layer has not been unambiguously…

We numerically investigate quantum rings in graphene and find that their electronic properties may be strongly influenced by the geometry, the edge symmetries and the structure of the corners. Energy spectra are calculated for different…

We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bare substrate and accommodates the 12% lattice mismatch by…

We present a general theoretical formulation to describe the interlayer interaction in incommensurate bilayer systems with arbitrary crystal structures. By starting from the tight- binding model with the distance-dependent transfer…

We study the atomistic-to-continuum limit of a class of energy functionals for crystalline materials via Gamma-convergence. We consider energy densities that may depend on interactions between all points of the lattice and we give…

We investigate the mechanical properties of a layered material with interlayer friction. We propose a model that contains lateral elasticity and interlayer friction to obtain the response function both in the Fourier and real spaces. By…

The tight-binding model is closely associated with the modified layer-based random-phase approximation to thoroughly investigate the electron-electron interactions in sliding bilayer graphene. The Coulomb interactions and intralayer and…

A theory of transport in the quantum Hall regime is developed for separately contacted double-layer electron systems. Inter-layer tunneling provides a channel for equilibration of the distribution functions in the two layers at the edge…

We explore the electronic ground states of Bernal-stacked multilayer graphenes using the Hartree-Fock mean-field approximation and the full-parameter band model. We find that the electron-electron interaction tends to open a band gap in…

We study the structural and thermodynamic properties of bilayer graphene, a prototype two-layer membrane, by means of Monte Carlo simulations based on the empirical bond order potential LCBOPII. We present the temperature dependence of…

An interatomic potential for the diamond and graphite phases of carbon has been created using a neural-network (NN) representation of the ab initio potential energy surface. The NN potential combines the accuracy of a first-principle…

We study the effect of Coulomb interaction between charge carriers on the properties of graphene monolayer, assuming that the strength of the interaction is controlled by the dielectric permittivity of the substrate on which the graphene…

We delineate a general theoretical framework to determine the substrate-regulated graphene morphology through energy minimization. We then apply such a framework to study the graphene morphology on a substrate with periodic surface grooves.…