Related papers: Local-field corrected van der Waals potentials in …
We describe here a theory of a quantum dot in an electrically tunable MoSe$_2$/WSe$_2$ heterostructure. Van der Waals heterostructures allow for tuning their electronic properties beyond their monolayer counterparts. We start by determining…
Dispersion interactions are usually derived assuming fixed internal spectra of the interacting quantum systems. Here, we relax this assumption and study how self-consistent electromagnetic backaction modifies van der Waals interactions when…
Intercalation reactions modify the charge density in van der Waals (vdW) materials through coupled electronic-ionic charge accumulation, and are susceptible to modulation by interlayer hybridization in vdW heterostructures. Here, we…
We consider potential-based interactions between beams (or fibers) and shells (or membranes) using a coarse-grained approach with focus on van der Waals attraction and steric repulsion. The involved 6D integral over volumes of a beam and a…
We present an efficient and robust semi-analytical formulation to compute the electric potential due to arbitrary-located point electrodes in three-dimensional cylindrically stratified media, where the radial thickness and the medium…
In this paper, we have provided exact two-body solutions to the 2D and 3D Schr\"odinger equations with isotropic van der Waals potentials of the form \(\pm 1/r^6\). Based on these solutions, we developed an analytical quantum defect theory…
The van der Waals coefficients for the alkali-metal atoms from Na to Fr interacting in their ground states, are calculated using relativistic ab initio methods. The accuracy of the calculations is estimated by also evaluating atomic static…
Topologically protected waves in the linearly polarized Maxwell's equations with gyrotropic, magneto-optic media were studied a decade ago both computationally and experimentally. This paper develops a robust tight-binding model for this…
Repulsive short-range and attractive long-range van der Waals (vdW) forces have an appreciable role in the behavior of extended molecular systems. When using empirical force fields - the most popular computational methods applied to such…
Observation of interlayer, charge-transfer (CT) excitons in van der Waals heterostructures (vdWHs) based on 2D-2D systems has been well investigated. While conceptually interesting, these charge transfer excitons are highly delocalized and…
We analyze here the energy states and associated wave functions available to a particle acted upon by a delta function potential of arbitrary strength and sign and fixed anywhere within a one-dimensional infinite well. We consider how the…
We analyze the low-lying states for a one-dimensional potential consisting of $N$ identical wells, assuming that the wells are parabolic around the minima. Matching the exact wave functions around the minima and the WKB wave functions in…
In this work, we investigate the magnetic properties of the quantum vacuum in the context of QED. We calculate the quantum relativistic correction of virtual particle--anti-particle pair creation to the field of a classical point-like…
The atomic dipole polarizability, $\alpha$, and the van der Waals (vdW) radius, $R_{\rm vdW}$, are two key quantities to describe vdW interactions between atoms in molecules and materials. Until now, they have been determined independently…
In van der Waals heterostructures of two-dimensional transition-metal dichalcogenides (2D TMDCs) electron and hole states are spatially localized in different layers forming long-lived interlayer excitons. Here, we have investigated, from…
Diffusion processes govern fundamental phenomena such as phase transformations, doping, and intercalation in van der Waals (vdW) bonded materials. Here, we quantify the diffusion dynamics of W atoms by visualizing the motion of individual…
In conventional ferroelectric materials, polarization is an intrinsic property limited by bulk crystallographic structure and symmetry. Recently, it has been demonstrated that polar order can also be accessed using inherently non-polar van…
Maxwell equations are solved in a layer comprising a finite number of homogeneous isotropic dielectric regions ended by anisotropic perfectly matched layers (PMLs). The boundary-value problem is solved and the dispersion relation inside the…
Though the existence of two-level systems (TLS) is widely accepted to explain low temperature anomalies in the sound absorption, heat capacity, thermal conductivity and other quantities, an exact description of their microscopic nature is…
Van der Waals (vdW) interactions are essential for describing molecules and materials, from drug design and catalysis to battery applications. These omnipresent interactions must also be accurately included in machine-learned force fields.…