相关论文: The van der Waals Potential between Metastable Ato…
Molecular-scale manipulation of electronic/ionic charge accumulation in materials is a preeminent challenge, particularly in electrochemical energy storage. Layered van der Waals (vdW) crystals exemplify a diverse family of materials that…
Exchange-correlation functionals with corrections for van der Waals interactions (PBE-D2, PBE-D3, PBE-D3(BJ), PBE-TS, optPBE-vdW and vdW-DF2) are tested for graphene and hexagonal boron nitride, both in the form of bulk and bilayer. The…
We present fully ab-initio calculations of van der Waals coefficients for two different situations: i) the interaction between hydrogenated silicon clusters; and ii) the interactions between these nanostructures and a non metallic surface…
Recently discovered ferromagnetism of the layered van der Waals material VI$_3$ attracts much research attention. Despite substantial progress,in the following important aspects no consensus has been reached: (i) a possible deviation of the…
Despite belonging to a well-studied family of transition metal trihalides, VI_3 has received significant attention only recently. As a hard ferromagnetic van der Waals compound with a large coercivity, it attracted much attention because of…
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…
Numerous optical phenomena and applications have been enabled by nanophotonic structures. Their current fabrication from high refractive index dielectrics, such as silicon or gallium phosphide, pose restricting fabrication challenges, while…
Contemporary experiments in cavity quantum electrodynamics (cavity QED) with gas-phase neutral atoms rely increasingly on laser cooling and optical, magneto-optical or magnetostatic trapping methods to provide atomic localization with…
We show that the usual sum of $R^{-6}$ contributions from elements separated by distance $R$ can give \emph{qualitatively} wrong results for the electromagnetically non-retarded van der Waals interaction between non-overlapping bodies. This…
Two-dimensional van der Waals compounds with magnetic ions on a honeycomb lattice are hosts to a variety of exotic behavior. The magnetic interactions in one such compound, MnPSe$_3$, are investigated with elastic and inelastic neutron…
Diffraction of atoms from surfaces provides detailed insights into structures, interactions, and dynamical processes. However, currently the method is limited to measurements in reflection - diffraction through materials has only been…
Using the plane wave pseudopotential method within the density functional theory with the generalized gradient approximation for exchange and correlation potential, we have calculated adsorption energies (Ead), diffusion barriers and the…
CeTe$_3$ is a van der Waals antiferromagnet composed of magnetic [CeTe]$^+$ layers coupled to highly conducting Te$^{0.5-}$ square nets. Its simple quasi-two-dimensional electronic structure and cleavable nature make it an appealing…
Using a recently obtained (general) formula for the interaction energy between an excited and a ground-state atom (Sherkunov Y 2007 Phys. Rev. A 75 012705), we consider the interaction energy between two such atoms near the interface…
The individual building blocks of van der Waals (vdW) heterostructures host fascinating physical phenomena, ranging from ballistic electron transport in graphene to striking optical properties of MoSe2 sheets. The presence of bonded and…
The bridge between quantum vacuum photon modes and properties of patterned surfaces is currently being established on solid theoretical grounds. Based on these foundations, the manipulation of quantum vacuum photon modes in a nanostructured…
We evaluate the electric-dipole and electric-quadrupole static and dynamic polarizabilities for the 6s^2 ^1S_0, 6s6p ^3P_0, and 6s6p ^3P_1 states and estimate their uncertainties. A methodology is developed for an accurate evaluation of the…
Vertical stacking of two-dimensional (2D) crystals, such as graphene and hexagonal boron nitride, has recently lead to a new class of materials known as van der Waals heterostructures (vdWHs) with unique and highly tunable electronic…
Casimir interaction between two media of ground-state atoms is well described with the help of Lifshitz formula depending upon permittivity of media. We will show that this formula is in contradiction with experimental evidence for excited…
The diffraction of fast atoms at crystal surfaces is ideal for a detailed investigation of the surface electronic density. However, instead of sharp diffraction spots, most experiments show elongated streaks characteristic of inelastic…