Related papers: Proving weak electronic interaction between molecu…
A GW calculation based on a truncated Coulomb interaction with an added small q limit was applied to 2D van der Waals heterolayered structures, and the Kane dispersion model was used to determine the accurate band gap edge. All ab initio…
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…
Three different periodic optical metasurfaces exhibiting Fano resonances are studied in mid-IR frequency range in the presence of a substrate. We develop a rigorous semi-analytical technique and calculate how the presence of a substrate…
It is demonstrated that the electric dipole layer due to the overlapping of electron wavefunctions at metal/graphene contact results in negative Fermi-level pinning effect on the region of GaAs surface with low interface-trap density in…
Intercalation reactions modify the charge density in van der Waals (vdW) materials through coupled electronic-ionic charge accumulation, and are susceptible to modulation by interlayer hybridization in vdW heterostructures. Here, we…
The interaction between graphene and substrates provides a viable routes to enhance functionality of both materials. Depending on the nature of electronic interaction at the interface, the electron band structure of graphene is strongly…
Interlayer van der Waals (vdW) coupling is generic in two-dimensional materials such as graphene and transition metal dichalcogenides, which can induce very low-energy phonon modes. Using high-resolution inelastic hard x-ray scattering, we…
Vertical stacking of monolayers via van der Waals assembly is an emerging field that opens promising routes toward engineering physical properties of two-dimensional (2D) materials. Industrial exploitation of these engineering…
Near-gate plasmons are a new type of plasma oscillations emerging in homogeneous two-dimensional electron systems where a gate provides partial screening of electron-electron interaction. Here we develop a theory of the near-gate plasmons…
We show that the electron-phonon coupling strength obtained from the slopes of the electronic energy vs. wavevector dispersion relations, as often done in analyzing angle-resolved photoemission data, can differ substantially from the actual…
We study the interaction of graphene with ultrashort few femtosecond long optical pulse. For such a short pulse, the electron dynamics is coherent and is described within the tight-binding model of graphene. The interaction of optical pulse…
Surface spin waves in the short-wavelength regime enable ultrafast, nanoscale magnon-based devices. Here we report the emergence of surface spin-wave excitations within the bulk magnon band gap of type-A van der Waals antiferromagnets…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…
Both van der Waals corrected density functional theory and classical calculations show that the potential relief of interaction energy between layers of graphite and few-layer graphene can be described by a simple expression containing only…
A model of a superlattice consisting of alternating strips of single-layer and bilayer graphene is proposed, whose parameters of the energy spectrum can be controlled by changing the external electric field perpendicular to the surface of…
Charge transfer is a common phenomenon in van der Waals heterostructures with proper work function mismatch, which enables electrostatic gating to control band alignment and interlayer charge distributions. This provides a tunable platform…
Graphene constitutes one of the key elements in many functional van der Waals heterostructures. However, it has negligible optical visibility due to its monolayer nature. Here we study the visibility of graphene in various van der Waals…
We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density functional theory based computational schemes incorporating…
We study the shift of rotational levels of a diatomic polar molecule due to its van der Waals (vdW) interaction with a gently curved dielectric surface at temperature $T$, and submicron separations. The molecule is assumed to be in its…