Related papers: Self-Consistent Screening Approximation for Flexib…
Graphene nanoribbons are prone to in-plane bending even when supported on flat substrates. However, the amount of bending that ribbons can stably withstand remains poorly known. Here, by using molecular dynamics simulations, we study the…
Using atomistic simulations we determine the roughness and the thermal properties of a suspended graphane sheet. As compared to graphene we found that hydrogenated graphene has: 1) a larger thermal contraction, 2) the roughness exponent at…
In this study, we describe a new experimental approach based on constant-current scanning tunneling spectroscopy to controllably and reversibly pull freestanding graphene membranes up to 35 nm from their equilibrium height. In addition, we…
Atomistic simulations are used to study the bending of rectangular graphene nano ribbons subjected to axial stress both for free boundary and supported boundary conditions. The shape of the deformations of the buckled graphene nano ribbons,…
Understanding how the mechanical behavior of materials deviates at the nanoscale from the macroscopically established concepts is a key challenge of particular importance for graphene, given the complex interplay between its nanoscale…
We amplify previous arguments why mean curvature should be used as measure of integration in calculating the effective bending rigidity of fluid membranes subjected to a weak background curvature. The stiffening of the membrane by its…
Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the…
We show by atomistic simulations that, in the thermodynamic limit, the in-plane elastic moduli of graphene at finite temperature vanish with system size $ L $ as a power law $ ~ L^{-\eta_u} $ with $ \eta_u \simeq 0.325 $, in agreement with…
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…
Room temperature simulations of graphene have been performed as a function of the mechanical tension of the layer. Finite-size effects are accurately reproduced by an acoustic dispersion law for the out-of-plane vibrations that, in the…
We demonstrate that a key elastic parameter of a suspended crystalline membrane---the Poisson ratio (PR) $\nu$---is a non-trivial function of the applied stress $\sigma$ and of the system size $L$, i.e., $\nu=\nu_L(\sigma)$. We consider a…
The mean ($\kappa$) and Gaussian ($\bar{\kappa}$) bending rigidities of liquid-liquid interfaces, of importance for shape fluctuations and topology of interfaces, respectively, are not yet established: even their signs are debated. Using…
Understanding how water wets graphene is critical for predicting and controlling its behaviour in nanofluidic, sensing, and energy applications. A key measure of wetting is the contact angle made by a liquid droplet against the surface, yet…
Magnetic zigzag edges of graphene are considered as a basis for novel spintronics devices despite the fact that no true long-range magnetic order is possible in one dimension. We study the transverse and longitudinal fluctuations of…
The thermodynamics of solid/liquid interfaces under nanoconfinement has tremendous implications for liquid transport properties. Here using molecular dynamics, we investigate graphite nanoslits and study how the water/graphite interfacial…
Thin membranes exhibit complex responses to external forces or geometrical constraints. A familiar example is the wrinkling, exhibited by human skin, plant leaves, and fabrics, resulting from the relative ease of bending versus stretching.…
Using the tight-binding model with long-range Coulomb interactions between electrons, we study some of the electronic properties of graphene. The Coulomb interactions are treated with the renormalized-ring-diagram approximation. By…
We study the dielectric properties of graphene in the presence of Rashba and intrinsic spin-orbit interactions in their most general form, i.e., for arbitrary frequency, wave vector, doping, and spin-orbit coupling (SOC) parameters. The…
The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-GGA…
The electronic quality of two-dimensional systems is crucial when exploring quantum transport phenomena. In semiconductor heterostructures, decades of optimization have yielded record-quality two-dimensional gases with transport and quantum…