Related papers: Tailored plasmons in pentacene/graphene heterostru…
In this work, we study structural and vibrational properties of multilayer graphene using density-functional theory (DFT) with van der Waals (vdW) functionals. Initially, we analyze how different vdW functionals compare by evaluating the…
Two dimensional van der Waals heterostructures (2D are of significant interest due to their intriguing physical properties that are critically defined by the constituent monolayers and their interlayer coupling . However, typical inorganic…
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…
Here we a present a density functional theory study of pentacene ultra-thin films on flat [(111)] and vicinal [(455)] Au surfaces. We have performed crystal and electronic structure calculations by using PBE and optB86b-vdW functionals and…
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…
Control over the position, orientation, and stacking order of two-dimensional (2D) materials within van der Waals heterostructures is crucial for applications in electronics, spintronics, optics, and sensing. The most popular strategy for…
Van der Waals (vdW) magnets, with their two-dimensional (2D) atomic structures, provide a unique platform for exploring magnetism at the nanoscale. Although there have been numerous reports on their diverse quantum properties, the emergent…
The impact of van der Waals interaction on the electronic structure between a pentacene monolayer and a graphite surface was investigated. Upon cooling the monolayer, newly formed dispersive bands, showing the constant final state nature…
The coupling of mechanical deformation and electrical stimuli at the nanoscale has been a subject of intense investigation in the realm of materials science. Recently, twisted van der Waals (vdW) materials have emerged as a platform to…
By investigating the optoelectronic properties of prototypical graphene/hexagonal boron nitride (h-BN) heterostructures, we demonstrate how a nanostructured combination of these materials can lead to a dramatic enhancement of light-matter…
Graphene is a unique material to study fundamental limits of plasmonics. Apart from the ultimate single-layer thickness, its carrier concentration can be tuned by chemical doping or applying an electric field. In this manner the…
Van der Waals heterostructures constitute a platform for investigating intriguing many-body quantum phenomena. In particular, transition-metal dichalcogenide (TMD) hetero-bilayers host long-lived interlayer excitons which exhibit permanent…
Graphene exhibits promise as a plasmonic material with high mode confinement that could enable efficient hot carrier extraction. We investigate the lifetimes and mean free paths of energetic carriers in free-standing graphene, graphite and…
A van der Waals (vdW) density functional was implemented in the mixed basis approach previously developed for studying two dimensional systems, in which the vdW interaction plays an important role. The basis functions here are taken to be…
Both single layer Ga2O3 (SLGO) and graphene are attractive due to their respective electronic and mechanical properties such as wide bandgap and high electrical conductivity. Bringing them together by using van der Waals force to form a…
Plasmonics takes advantage of the collective response of electrons to electromagnetic waves, enabling dramatic scaling of optical devices beyond the diffraction limit. Here, we demonstrate the mid-infrared (4 to 15 microns) plasmons in…
The successful assembly of heterostructures consisting of several layers of different 2D materials in arbitrary order by exploiting van der Waals forces has truly been a game changer in the field of low dimensional physics. For instance,…
Two-dimensional van der Waals (vdW) materials hold the potential for ultra-scaled ferroelectric (FE) devices due to their silicon compatibility and robust polarization down to atomic scale. However, the inherently weak vdW interactions…
Van der Waals (vdW) heterostructures consisting of two dimensional materials offer a platform to obtain material by design and are very attractive owing to novel electronic states. Research on 2D van der Waals heterostructures (vdWH) has so…
Ultrathin and flat optical lenses are essential for modern optical imaging, spectroscopy, and energy harvesting. Dielectric metasurfaces comprising nanoscale quasi-periodic resonator arrays are promising for such applications, as they can…