Related papers: Observation of Electrically Tunable van der Waals …
We aim to understand how the van der Waals force between neutral adatoms and a graphene layer is modified by uniaxial strain and electron correlation effects. A detailed analysis is presented for three atoms (He, H, and Na) and graphene…
Quantum coherence and control is foundational to the science and engineering of quantum systems. In van der Waals (vdW) materials, the collective coherent behavior of carriers has been probed successfully by transport measurements. However,…
Van der Waals (vdW) heterostructures host many-body quantum phenomena that can be tuned in situ using electrostatic gates. These gates are often microstructured graphite flakes that naturally form plasmonic cavities, confining light in…
For the moment, there is no exact description of van der Waals (vdW) interactions. ACFD-RPA \cite{Gould1} is expected to better describe vdW bonding, but it is not exact. The PBE/DFT-D2 method is less satisfactory, however, its results are…
Two dimensional layered van der Waals (vdW) magnets have demonstrated their potential to study both fundamental and applied physics due to their remarkable electronic properties. However, the connection of vdW magnets to spintronics as well…
The confinement of molecules within the van der Waals (vdW) gap between a two-dimensional 2D material and a catalytic substrate offers a promising route toward the development of molecule-selective catalysts with increased reaction rates.…
The DFT/vdW-WF2s1 method based on the generation of localized Wannier functions, recently developed to include the van der Waals interactions in the Density Functional Theory and describe adsorption processes on metal surfaces by taking…
The van der Waals (vdW) interactions exist in reality universally and play an important role in physics. Here, we show the study on the mechanism of vdW interactions on phonon transport in atomic scale, which would boost developments in…
Dispersion interactions such as the van der Waals interaction between atoms or molecules derive from quantum fluctuations of the electromagnetic field and can be understood as the exchange of virtual photons between the interacting…
Dynamic wavelength tunability has long been the holy grail of photodetector technology. Because of its atomic thickness and unique properties, graphene opens up new paradigms to realize this concept, but so far this has been elusive…
Electrochemical intercalation is a powerful method for tuning the electronic properties of layered solids. In this work, we report an electro-chemical strategy to controllably intercalate lithium ions into a series of van der Waals (vdW)…
Graphene sandwiched between semiconducting monolayers of ferromagnet Cr$_2$Ge$_2$Te$_6$ and transition-metal dichalcogenide WS$_2$ acquires both spin-orbit (SO), of valley-Zeeman and Rashba types, and exchange couplings. Using…
A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar…
Interfacial adhesion between graphene and a SiO2 substrate is studied by density functional theory (DFT) with dispersion corrections. The results demonstrate the van der Waals (vdW) interaction as the predominate mechanism for the…
It is shown that it is now possible to include van der Waals interactions via a nonempirical implementation of density functional theory to describe the correlation energy in electronic structure calculations on infinite systems of no…
We present a new scheme to include the van der Waals (vdW) interactions in approximated Density Functional Theory (DFT) by combining the Quantum Harmonic Oscillator model with the Maximally Localized Wannier Function technique. With respect…
The DFT/vdW-WF2s1 method, recently developed to include the van der Waals interactions in the Density Functional Theory and describe adsorption processes on metal surfaces by taking metal-screening effects into account, is applied to the…
Large area van der Waals (vdW) thin films are assembled materials consisting of a network of randomly stacked nanosheets. The multi-scale structure and the two-dimensional nature of the building block mean that interfaces naturally play a…
Strongly correlated materials possess a complex energy landscape and host many interesting physical phenomena, including charge density waves (CDWs). CDWs have been observed and extensively studied in many materials since their first…
Accurate modeling of electronic and structural properties of organic molecule-metal interfaces are challenging problems because of the complicated electronic distribution of molecule and screening of charges at the metallic surface. This is…