Related papers: Non-hexagonal-ring defects and structures induced …
Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…
Van der Waals heteroepitaxy allows deterministic control over lattice mismatch or azimuthal orientation between atomic layers to produce long wavelength superlattices. The resulting electronic phases depend critically on the superlattice…
We explore the effect of mechanical strain on the electronic spectrum of patterned graphene based heterostructures. We focus on the competition of Kekul\'e-O type distortion favoring a trivial phase and commensurate Kane-Mele type…
We classify all possible 36 gap-opening instabilities in graphene-like structures in two dimensions, i.e., masses of Dirac Hamiltonian when the spin, valley, and superconducting channels are included. These 36 order parameters break up into…
Laser irradiation, as a versatile tool to tune topological properties of electronic systems, is under intensive studies. Experimentally, laser irradiation induced anomalous Hall effect in graphene has been observed (McIver et al., Nat.…
We demonstrate that stacking layered materials allows a novel type of strain engineering where each layer is strained independently, which we call heterostrain. We combine detailed structural and spectroscopic measurements with…
Proximity orbital and spin-orbital effects of graphene on monolayer transition-metal dichalcogenides (TMDCs) are investigated from first-principles. The Dirac band structure of graphene is found to lie within the semiconducting gap of TMDCs…
The electronic and optical properties of graphene can be precisely tuned by generating deterministic arrangements of strain features. In this paper, we report the formation of widespread and controlled buckling delamination of monolayer…
The strain effects on the spin-orbit induced splitting of the valence band maximum and conduction band minimum in monolayer MoS2 and the gap in graphene are calculated using first-principles calculations. The dependence of these splittings…
This article reviews progress in the theoretical modelling of the electronic structure of rotationally faulted multilayer graphenes. In these systems the crystallographic axes of neighboring layers are misaligned so that the layer stacking…
We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexagonal rings affects electronic transport in graphitic…
Graphene membranes suspended off electric contacts or other rigid supports are prone to elastic strain, which is concentrated at the edges and corners of the samples. Such a strain leads to an algebraically varying effective magnetic field…
We have performed first-principles calculations of graphene edge stresses, which display two interesting quantum manifestations absent from the classical interpretation: the armchair edge stress oscillates with a nanoribbon width, and the…
Here we report a facile method to generate a high density of point defects in graphene on metal foil and show how the point defects affect the electronic structures of graphene layers. Our scanning tunneling microscopy (STM) measurements,…
We investigate the effects of point and line defects in monolayer graphene within the framework of the Hubbard model, using a self-consistent mean field theory. These defects are found to induce characteristic patterns into the electronic…
Fullerenes are hollow carbon molecules where each atom is connected to exactly three other atoms, arranged in pentagonal and hexagonal rings. Mathematically, they can be combinatorially modeled as planar, 3-regular graphs with facets…
Topological defects in ultrathin layers are often formed during synthesis and processing, thereby, strongly influencing their electronic properties . In this paper, we investigate the role of Stone-Wales (SW) defects in modifying the…
We exploit the concept of strain-induced band structure engineering in graphene through the calculation of its electronic properties under uniaxial, shear, and combined uniaxial-shear deformations. We show that by combining shear…
Strain induced band gap deformations of hydrogenated/fluorinated graphene and hexagonal BN sheet have been investigated using first principles density functional calculations. Within harmonic approximation, the deformation is found to be…
The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces. Recent…