Related papers: Local-field corrected van der Waals potentials in …
Noncovalent van der Waals (vdW) interactions are responsible for a wide range of phenomena in matter. Popular density-functional methods that treat vdW interactions use disparate physical models for these intricate forces, and as a result…
Nonlocal (spatial-dispersion) effects in multilayered metamaterials composed of periodic stacks of alternating, deeply subwavelength dielectric layers are known to be negligibly weak. Counterintuitively, under certain critical conditions,…
We derive the electromagnetic medium equivalent to a collection of all-dielectric nano-particles (enjoying high refractive indices) distributed locally non-periodically in a smooth domain $\Omega$. Such distributions are used to model well…
In the recent decades, it became more and more popular for engineers, physicists, and mathematicians alike to put the Maxwell equations into a generally covariant form. This is particularly useful for understanding the fundamental structure…
We study the ground state energy for a system of two hydrogen atoms coupled to the quantized Maxwell field in the limit $\alpha \to 0$ together with the relative distance between the atoms increasing as $\alpha^{-\gamma} R$, $\gamma > 0$.…
The description of realistic strongly correlated systems has recently advanced through the combination of density functional theory in the local density approximation (LDA) and dynamical mean field theory (DMFT). This LDA+DMFT method is…
A new implementation is proposed for including van der Waals interactions in Density Functional Theory using the Maximally-Localized Wannier functions. With respect to the previous DFT/vdW-WF method, the present DFT/vdW-WF2 approach, which…
Hyperbolic metasurfaces based on van der Waals (vdW) materials support propagation of extremely anisotropic polaritons towards nanoscale light compression and manipulation, and thus has great potential in the applications of planar…
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…
Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…
We investigate generalized potentials for a mean-field density functional theory of a three-phase contact line. Compared to the symmetrical potential introduced in our previous article [1], the three minima of these potentials form a small…
Multilayer van der Waals (vdW) heterostructures have become an important platform in which to study novel fundamental effects emerging at the nanoscale. Standard nanopatterning techniques relying on electron-beam lithography and reactive…
To understand sparse systems we must account for both strong local atom bonds and weak nonlocal van der Waals forces between atoms separated by empty space. A fully nonlocal functional form [H. Rydberg, B.I. Lundqvist, D.C. Langreth, and M.…
Polar van der Waals (vdW) crystals that support phonon polaritons have recently attracted much attention because they can confine infrared and terahertz (THz) light to deeply subwavelength dimensions, allowing for the guiding and…
We apply the modern technique of approximation of multivariate functions - tensor train cross approximation - to the problem of the description of physical interactions between complex-shaped bodies in a context of computational…
The ability to directly observe electronic band structure in modern nanoscale field-effect devices could transform understanding of their physics and function. One could, for example, visualize local changes in the electrical and chemical…
Properties of semiconductors are largely defined by crystal imperfections including native defects. Van der Waals (vdW) semiconductors, a newly emerged class of materials, are no exception: defects exist even in the purest materials and…
Geometrical model for quantum objects is suggested. It is shown that equations for free material Dirac field and for Maxwell electromagnetic field can be considered as relations describing propagation of the space topological defects. This…
Time analysis of oscillations of a particle between wells in the one-dimensional double-well potential with infinite high outside walls, based on wave packet use and energy spectrum analysis, is presented. For the double-well potential of…
Boundary-dependent radiative corrections that modify the magnetic moment of an electron near a dielectric or conducting surface are investigated. Normal-mode quantization of the electromagnetic field and perturbation theory applied to the…