相关论文: Molecular collapse in graphene: sublattice symmetr…

Graphene clusters consisting of 24 to 150 carbon atoms and hydrogen termination at the zigzag boundary edges have been studied, as well as clusters disordered by vacancy(s). Density Function Theory and Gaussian03 software were used to…

The collapse of cavities under shock is a key problem in various fields ranging from erosion of material, ignition of explosive, to sonoluminescence, etc. We study such processes using the material-point-method developed recently in the…

Crystallographic defects play a key role in determining the properties of crystalline materials. The new class of two-dimensional materials, foremost graphene, have enabled atomically resolved studies of defects, such as vacancies, grain…

A variational technique is used to study sublattice symmetry breaking by strong on-site and nearest neighbor interactions in graphene. When interactions are strong enough to break sublattice symmetry, and with relative strengths…

We combined periodic ripples and electrostatic potentials to form curved graphene superlattices and studied the effects of space-dependent Fermi velocity induced from curvature on their electronic properties. With equal periods and…

We analyze the symmetry breaking of matter-wave solitons in a pair of cigar-shaped traps coupled by tunneling of atoms. The model is based on a system of linearly coupled nonpolynomial Schr\"odinger equations (NPSEs). Unlike the well-known…

Point defects give rise to sharp modifications in the structures and electronic properties of two-dimensional metals, offering an atomic-level platform for fundamental studies and potential applications. In this work, we investigate…

Recently, the prospects for amorphous phases of graphene (a-G) have been explored computationally. Initial models were flat, and contained odd-member rings, while maintaining three-fold coordination and sp2 bonding. Upon relaxation,…

We aim to better understand how the spatial structure of molecular clouds is governed by turbulence. For that, we study the large-scale spatial distribution of low density molecular gas and search for characteristic length scales. We employ…

The presence of defects such as vacancies in solids has prominent effects on their mechanical properties. It not only modifies the stiffness and strength of materials, but also changes their morphologies. The latter effect is extremely…

We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z{\alpha} for different sizes of the dipole and for different…

We study a system involving a single quantum degree of freedom per site of the lattice interacting with a few neighbors (up to second neighbors), with the interactions chosen as to produce frustration. At zero temperature, this system…

We study graphene with an adsorbed spin texture, where the localized spins create a periodic magnetic flux. The latter produces gaps in the graphene spectrum and breaks the valley symmetry. The resulting effective electronic model, which is…

We calculate the local density of states (LDOS) for an infinite graphene sheet with a single centro-symmetric out-of-plane deformation, in order to investigate measurable strain signatures on graphene. We focus on the regime of small…

We consider a square lattice configuration of circular gate-defined quantum dots in an unbiased graphene sheet and calculate the electronic, particularly spectral properties of finite albeit actual sample sized systems by means of a…

We perform a computational study of confined photonic states that appear in a three-dimensional (3D) superlattice of coupled cavities, resulting from a superstructure of intentional defects. The states are isolated from the vacuum by a 3D…

Flat bands emerging in buckled monolayer graphene superlattices have been recently shown to realize correlated states analogous to those observed in twisted graphene multilayers. Here, we demonstrate the emergence of valley topology driven…

A bipartite lattice with chiral symmetry is known to host zero energy flat bands if the numbers of the two sublattices are different. We demonstrate that this mechanism of producing flat bands can be realized on graphene by introducing…

Molecular-crystalline duality of graphene ensures a tight alliance of its physical and chemical natures, each of which is unique in its own way. The paper examines the physical-chemical harmony and/or confrontation in terms of the molecular…

Electron scattering problem in the monolayer graphene with short-range impurities is considered. The main novel element in the suggested model is the band asymmetry of the defect potential in the 2+1-dimensional Dirac equation. This…