Related papers: How many-body effects modify the van der Waals int…
Using fourth-order perturbation theory, a general formula for the van der Waals potential of two neutral, unpolarized, ground-state atoms in the presence of an arbitrary arrangement of dispersing and absorbing magnetodielectric bodies is…
We use multipolar expansions to find the force on a gold coated sphere above a gold substrate; we study both an empty gold shell and a gold coated polystyrene sphere. We find four characteristic separation ranges. In the first region, which…
We calculate the electronic structure and magnetic properties of hydrogenated graphite surfaces using van der Waals density functional theory (DFT) and model Hamiltonians. We find, as previously reported, that the interaction between…
The method recently developed to include Van der Waals interactions in the Density Functional Theory by using the Maximally-Localized Wannier functions, is improved and extended to the case of atoms and fragments weakly bonded (physisorbed)…
The interlayer gallery between two adjacent sheets of van der Waals materials is expected to modify properties of atoms and molecules confined at the atomic interfaces. Here, we directly image individual hydrogen atom intercalated between…
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…
We report systematic theoretical studies of the inverse Faraday effect in materials with massless Dirac fermions, both in two dimensions such as graphene and surface states in topological insulators, and in three dimensions such as Dirac…
The pressure evolution of the Raman spectrum of graphene grown by chemical vapour deposition on polycrystalline copper is investigated with the use of a polar and a non-polar pressure transmitting medium (PTM). The G and 2D Raman bands…
General properties of the recently observed screening of the van der Waals (vdW) attraction between a silica substrate and silica tip by insertion of graphene are predicted using basic theory and first-principles calculations. Results are…
The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a promising approach for including dispersion in approximate density functional theory exchange-correlation functionals. Indeed, an…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
Plasmons in ordinary electron liquids are collective excitations whose long-wavelength limit is rigid center-of-mass motion with a dispersion relation that is, as a consequence of Galileian invariance, unrenormalized by many-body effects.…
A new implementation is proposed for including van der Waals (vdW) interactions in Density Functional Theory (DFT) using the Maximally-Localized Wannier functions (MLWFs), which is free from empirical parameters. With respect to the…
In the present work, first-principles calculations based on the density functional theory (DFT), GW approximation and Bethe-Salpeter equation (BSE) are performed to study the electronic and optical properties of penta-graphene (PG)…
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…
The relativistic Foldy-Wouthuysen transformation is used for an advanced description of planar graphene electrons in external fields and free (2+1)-space. It is shown that the initial Dirac equation should by based on the usual $(4\times4)$…
The thermal free energy and pressure of dispersion interaction between two graphene sheets described by the Dirac model are calculated using the Lifshitz formula with reflection coefficients expressed via the polarization tensor. The…
We present GW many-body results for ground-state properties of two simple but very distinct families of inhomogenous systems in which traditional implementations of density-functional theory (DFT) fail drastically. The GW approach gives…
We investigated the electronic and optoelectronic properties of vertical van der Waals heterostructure photodetectors using layered p type GaSe and n type InSe, with graphene as the transparent electrodes. Not only the photocurrent peaks…
The dispersion interaction between a pair of parallel DNA double-helix structures is investigated by means of the van der Waals density functional (vdW-DF) method. Each double-helix structure consists of an infinite repetition of one B-DNA…