Related papers: Topological Defects in Graphene: Dislocations and …
The potential of graphene for use in photonic applications was evidenced by recent demonstrations of modulators, polarisation rotators, and isolators. These promising yet preliminary results raise crucial questions: what is the optimal…
Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…
Electronic transport properties of monolayer graphene with extreme physical bending up to 90o angle are studied using ab Initio first-principle calculations. The importance of key structural parameters including step height, curvature…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…
Employing density-functional theory (DFT) calculations, the generalized-stacking-fault energy (GSFE) curves along two crystallographic slips, glide and shuffle, for both pristine graphene and impurity of boron (B) or nitrogen (N) doped…
In an ideal graphene sheet charge carriers behave as two-dimensional (2D) Dirac fermions governed by the quantum mechanics of massless relativistic particles. This has been confirmed by the discovery of a half-integer quantum Hall effect in…
We revisit the geometric theory of defects. In the differential-geometric models of defects that have been adopted since the 1950s, dislocations have been associated with torsion, disclinations with the full curvature, and point defects…
We study the combined effect of a conical topological defect and a Coulomb charge impurity on the dynamics of Dirac fermions in gapped graphene. Beyond a certain strength of the Coulomb charge, quantum instability sets in, which demarcates…
In view of the many quantum field theoretical descriptions of graphene in $2+1$ dimensions, we present another field theoretical feature of graphene, in the presence of defects. Particularly, we shall be interested in gapped graphene in the…
Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…
Experiments are finally revealing intricate facts about graphene which go beyond the ideal picture of relativistic Dirac fermions in pristine two dimensional (2D) space, two years after its first isolation. While observations of rippling…
We investigate the effects of single, multiple, and extended defects in the form of non-magnetic impurities and vacancies in twisted bilayer graphene (TBG) at and away from the magic angle, using a fully atomistic model and focusing on the…
The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical…
Systematic engineering of atomic-scale low-dimensional defects in two-dimensional nanomaterials is a promising way to modulate the electronic properties of these nanomaterials. Defects at interfaces such as grain boundaries and line defects…
Defects change essentially not only electronic but also chemical properties of graphene being centers of its chemical activity. Their functionalization is a way to modify electronic and crystal structure of graphene which may be important…
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…
A broad variety of defects has been observed in two-dimensional materials. Many of these defects can be created by top-down methods such as electron irradiation or chemical etching, while a few of them are created along bottom-up processes,…
Magic-angle twisted bilayer graphene is a tunable material with remarkably flat energy bands near the Fermi level, leading to fascinating transport properties and correlated states at low temperatures. However, grown pristine samples of…
We investigate the electronic structure of realistic partial dislocation networks in bilayer graphene that feature annihilating, wandering, and intersecting partial lines. We find charge accumulation states at partials that are sensitive to…
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…