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Using atomistic simulations we investigate the morphological properties of graphene deposited on top of a nanostructured substrate. Sinusoidally corrugated surfaces, steps, elongated trenches, one dimensional and cubic barriers, spherical…
The effect of structure relaxation on the potential energy surface (PES) of interlayer interaction of twisted graphene bilayer is studied for a set of commensurate moir\'e systems using the registry-dependent empirical potential of…
Stacking geometry in multilayer graphene (MLG) provides an interesting degree of freedom to engineer its electronic structure near the Fermi level, wherein the linear bands in single layer graphene could retain or evolve into parabolic or…
Graphene is a truly two-dimensional atomic crystal with exceptional electronic and mechanical properties. Whereas conventional bulk and thin-film materials have been studied extensively, the key mechanical properties of graphene, such as…
We analyze the elastic properties, structural effects, and low-energy physics of a sheared nanoribbon placed on top of graphene, which creates a gradually changing moire pattern. By means of a classical elastic model we derive the strains…
Atomically resolved imaging and spectroscopic characteristics of graphene grown by chemical vapor deposition (CVD) on copper are investigated by means of scanning tunneling microscopy and spectroscopy (STM/STS). For CVD-grown graphene…
We investigate the effects of uniaxial strain on the transport properties of vertical devices made of two twisted graphene layers, which partially overlap each other. We find that because of the different orientations of the two graphene…
Graphene, dubbed as a two-dimensional material represents the topological concept of "surface" embedded in a three-dimensional space. This regard enables to employ existing theories/tools in topology to understand different…
We consider superconducting properties of a two-dimensional Dirac material such as graphene under strain that produces a flat band spectrum in the normal state. We show that in the superconducting state, such a model results in a highly…
We report results from two-dimensional Raman spectroscopy studies of large-area epitaxial graphene grown on SiC. Our work reveals unexpectedly large variation in Raman peak position across the sample resulting from inhomogeneity in the…
In spite of years of intense research, graphene continues to produce surprising results. Recently, it was experimentally observed that under certain conditions graphene can self-drive its tearing and peeling from substrates. This process…
We formulate a theoretical model of the shear failure of a thin film tethered to a rigid substrate. The interface between film and substrate is modeled as a cohesive layer with randomly fluctuating shear strength/fracture energy. We…
In twisted van der Waals materials, local atomic relaxation can alter the underlying electronic structure. Characterizing lattice reconstruction and its susceptibility to strain is essential for understanding emergent electronic states,…
The intrinsic resistance peak (ridge) structures were recently found to appear in the carrier density dependence plot of the resistance of the AB-stacked multilayer graphene with even numbers of layers.The ridges are due to topological…
Self-shaping of curved structures, especially those involving flexible thin layers, has attracted increasing attention because of their broad potential applications in e.g. nanoelectromechanical/micro-electromechanical systems (NEMS/MEMS),…
Surface and interfacial energies play important roles in a number of instability phenomena in liquids and soft matters, but are rare to play a similar role in solids. Here we report a new type of mechanical instabilities that are controlled…
The interlayer interaction in graphene/boron-nitride heterostructures is studied using density functional theory calculations with the correction for van der Waals interactions. It is shown that the use of the experimental interlayer…
There has been a lot of excitement around the observation of superconductivity in twisted bilayer graphene, associated to flat bands close to the Fermi level. Such correlated electronic states also occur in multilayer rhombohedral stacked…
We present a molecular modeling study analyzing nanometer-scale strain variations in graphene as a function of externally applied tensile strain. We consider two different mechanisms that could underlie nanometer-scale strain variations:…
Raman spectroscopy is the prime non-destructive characterization tool for graphene and related layered materials. The shear (C) and layer breathing modes (LBMs) are due to relative motions of the planes, either perpendicular or parallel to…