相关论文: Non-hexagonal-ring defects and structures induced …

We propose here a first-principles, parameter free, real space method for the study of disordered extended defects in solids. We shall illustrate the power of the technique with an application to graphene sheets with randomly placed…

We consider the role of deformations in graphene heterostructures with hexagonal crystals (including strain, wrinkles and dislocations) on the geometrical properties of moire patterns characteristic for a pair of two incommensurate…

Strain-inducing deformations in graphene alter charge distributions and provide a new method to design specific features in the band structure and transport properties. Novel approaches implement engineered substrates to induce specifically…

Strain in two-dimensional (2D) materials has attracted particular attention owing to the remarkable modification of electronic and optical properties. However, emergent electromechanical phenomena and hidden mechanisms, such as…

The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zig-zag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that: i) the pseudo-magnetic…

Strains strongly affect the properties of low-dimensional materials, such as graphene. By combining in situ, in operando, reflection high energy electron diffraction experiments with first-principles calculations, we show that large…

Various types of topological defects in graphene are considered in the framework of the continuum model for long-wavelength electronic excitations, which is based on the Dirac--Weyl equation. The condition for the electronic wave function…

Defects play a key role in the electronic structure of graphene layers flat or curved. Topological defects in which an hexagon is replaced by an n-sided polygon generate long range interactions that make them different from vacancies or…

We aim to understand how the van der Waals force between neutral adatoms and a graphene layer is modified by uniaxial strain and electron correlation effects. A detailed analysis is presented for three atoms (He, H, and Na) and graphene…

We study the scattering of graphene quasiparticles by topological defects, represented by holes, pentagons and heptagons. For holes, we found that at low concentration they give a negligible contribution to the resistivity. Whenever…

A formalism is proposed to study the electronic and transport properties of graphene sheets with corrugations as the one recently synthesized. The formalism is based on coupling the Dirac equation that models the low energy electronic…

The interaction between a graphene layer and a hexagonal Boron Nitride (hBN) substrate induces lateral displacements and strains in the graphene layer. The displacements lead to the appearance of commensurate regions and the existence of an…

The supercell approach enables us to treat the electronic structure of defective crystals, but the calculated energy bands are too complicated to understand or to compare with angle-resolved photoemission spectra because of inevitable zone…

Chemical, mechanical, thermal and/or electronic properties of bulk or low-dimensional materials can be engineered by introducing structural defects to form novel functionalities. When using particles irradiation, these defects can be…

We study the Haldane model under strain using a tight-binding approach, and compare the obtained results with the continuum-limit approximation. As in graphene, nonuniform strain leads to a time-reversal preserving pseudo-magnetic field…

Due to atomically thin structure, graphene/hexagonal boron nitride (G/hBN) heterostructures are intensively sensitive to the external mechanical forces and deformations being applied to their lattice structure. In particular, strain can…

In this article we investigate the possibility of generating piezoelectric orbital polarization in graphene-like systems which are deformed periodically. We start with discrete two-level models which depend on control parameters; in this…

Moir'e patterns in the pseudo-magnetic field and in the strain profile of graphene (GE) when put on top of a hexagonal lattice substrate are predicted from elasticity theory. %which are confirmed by atomistic simulations. The van der Waals…

We study the scattering of graphene quasiparticles by topological defects, represented by holes, pentagons and heptagons. For the case of holes, we obtain the phase shift and found that at low concentration they appear to be irrelevant for…

The nature of the electronic ground states in strained undoped graphene at weak interaction between electrons is discussed. After providing a lattice realization of the strain-induced axial magnetic field we numerically find the…