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We show that the entire continuous model of twisted bilayer graphene (TBG) (and not just the two active bands) with particle-hole symmetry is anomalous and hence incompatible with a lattice model. Previous works, e.g., [Phys. Rev. Lett.…
The deformation and disintegration of a graphene nanoribbon under external electrostatic fields are investigated by first principle quantum mechanical calculations to establish its stability range. The zigzag edges terminated by various…
Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…
Magic-angle twisted bilayer graphene exhibits quasi-flat low-energy bands with Van Hove singularities close to the Fermi level. These singularities play an important role in the exotic phenomena observed in this material, such as…
The role of grain size in determining fracture toughness in metals is incompletely understood with apparently contradictory experimental observations. We study this grain-size dependence computationally by building a model that combines the…
Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…
Graphene is a model system for the study of electrons confined to a strictly two-dimensional layer1 and a large number of electronic phenomena have been demonstrated in graphene, from the fractional2, 3 quantum Hall effect to…
We investigate the many-body instabilities of electrons interacting near Van Hove singularities arising in monolayer and twisted bilayer graphene. We show that a pairing instability must be dominant over the tendency to magnetic order as…
We study the mechanism of wrinkling of suspended graphene, by means of atomistic simulations. We argue that the structural instability under edge compression is the essential physical reason for the formation of periodic ripples in…
Graphene [1] and its bilayer have generated tremendous excitement in the physics community due to their unique electronic properties [2]. The intrinsic physics of these materials, however, is partially masked by disorder, which can arise…
The high mechanical strength and excellent flexibility of 2D materials such as graphene are some of their most important properties [1]. Good flexibility is key for exploiting 2D materials in many emerging technologies, such as wearable…
Graphyne is a porous two-dimensional carbon allotrope of graphene that possesses interesting physical properties, including non-null bandgap. It is composed of carbon hexagonal rings or carbon-carbon bonds connected by acetylenic chains.…
We study the motion of a grain boundary separating two otherwise stationary domains of hexagonal symmetry. Starting from an order parameter equation appropriate for hexagonal patterns, a multiple scale analysis leads to an analytical…
In graphene, charged defects break the electron-hole symmetry and can even give rise to exotic collapse states when the defect charge exceeds a critical value which is proportional to the Fermi velocity. In this work, we investigate the…
Twisted bilayer graphene (TBG) with interlayer twist angles near the magic angle $\approx 1.08^{\circ}$ hosts flat bands and exhibits correlated states including Mott-like insulators, superconductivity and magnetism. Here we report combined…
Graphene and carbon nanotubes have extraordinary mechanical and electronic properties. Intrinsic line defects such as local non-hexagonal reconstructions or grain boundaries, however, significantly reduce the tensile strength, but feature…
Graphene has become in last decades a paradigmatic example of two-dimensional and so-called van-der-Waals layered materials, showing large anisotropy in their physical properties. Here we study the elastic properties and mechanical…
Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge…
Graphene extraordinary strength, stiffness and lightness have generated great expectations towards its application in flexible electronics and as mechanical reinforcement agent. However, the presence of lattice defects, unavoidable in…
Electrons in graphene follow unconventional trajectories at PN junctions, driven by their pseudospintronic degree of freedom. Significant is the prominent angular dependence of transmission, capturing the chiral nature of the electrons and…