Related papers: Electrostatic interactions between graphene layers…
The observation of micron size spin relaxation makes graphene a promising material for applications in spintronics requiring long distance spin communication. However, spin dependent scatterings at the contact/graphene interfaces affect the…
Graphene is a two-dimensional material with strongly nonlinear electrodynamics and optical properties. We present some of our recent theoretical results on the quantum and non-perturbative quasi-classical theories of nonlinear effects in…
An optical Second-Harmonic Generation (SHG) allows to probe various structural and symmetry-related properties of materials, since it is sensitive to the inversion symmetry breaking in the system. Here, we investigate the SHG response from…
Spatially nonuniform strain is important for engineering the pseudomagnetic field and band structure of graphene. Despite the wide interest in strain engineering, there is still a lack of control on device-compatible strain patterns due to…
We study the electromagnetic properties of a metamaterial consisting of polarizable (nano)particles and a single graphene sheet placed at the interface between two dielectrics. We show that the particle's polarizability is renormalized…
We explore the electronic ground states of Bernal-stacked multilayer graphenes using the Hartree-Fock mean-field approximation and the full-parameter band model. We find that the electron-electron interaction tends to open a band gap in…
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…
High-quality, large-area epitaxial graphene can be grown on metal surfaces but its transport properties cannot be exploited because the electrical conduction is dominated by the substrate. Here we insulate epitaxial graphene on Ru(0001) by…
We calculate the electronic band dispersion of graphene monolayer on a two dimensional transition metal dichalcogenide substrate (GTMD) (viz., XY2 , X = Mo, W; Y = S, Se) around K and K prime points taking into account the interplay of the…
Rhombohedral graphene systems with different number of layers feature an abundance of correlated phases and superconducting states in experimental measurements with different doping and displacement fields. Some of the superconducting…
We present an investigation of the effect of the interaction between a thin polystyrene film and its supporting substrate on its glass transition temperature (Tg). We modulate this interaction by depositing the film on end-tethered…
Flexoelectricity phenomenon is the response of electric polarization to an applied strain gradient and is developed as a consequence of crystal symmetry in all materials. In this study, we show that the presence of strain gradient in…
The interaction of highly-charged ions with monolayers of graphene and MoS2 is theoretically investigated based on nonequilibrium Green Functions (NEGF). In a recent paper [Niggas et al., Phys. Rev. Lett. 129, 086802 (2022)] dramatic…
The wettability of monolayer and multilayer graphene remains a topic of longstanding debate. Here, we combined first-principles molecular dynamics simulations accelerated with the atomic cluster expansion machine learning interatomic…
Combining atomically-thin van der Waals materials into heterostructures provides a powerful path towards the creation of designer electronic devices. The interaction strength between neighboring layers, most easily controlled through their…
We analyze the STM current through electronic resonances on a substrate as a function of tip-surface distance. We show that when the tip approaches the surface a Fano hybridization can occur between the electronic resonance on the substrate…
The wetting properties of graphene have proven controversial and difficult to assess. The presence of a graphene layer on top of a substrate does not significantly change the wetting properties of the solid substrate, suggesting that a…
Imprinting magnetism into graphene makes an important step to its applications in spintronics. An actively explored approach is proximity coupling of graphene to a 2D magnet. In these endeavors, the use of epitaxial graphene may bring…
Graphene is a very attractive material for nanomechanical devices and membrane applications. Graphene blisters based on silicon oxide micro-cavities are a simple but relevant example of nanoactuators. A drawback of this experimental set up…
Density functional theory has been employed to study graphene on the (111), (100) and (110) surfaces of silicon (Si) substrates. There are several interesting findings. First, carbon atoms in graphene form covalent bonds with Si atoms, when…