Related papers: Dielectric function of the Si(113)3x2ADI surface f…
We derive a dielectric-dependent hybrid functional which accurately describes the electronic properties of heterogeneous interfaces and surfaces, as well as those of three- and two-dimensional bulk solids. The functional, which does not…
Nanostructures, such a quantum dots or nanoparticles, made of three-dimensional topological insulators (3DTIs) have been recently attracting increasing interest, especially for their optical properties. In this paper we calculate the energy…
Macroscopic properties of materials stem from fundamental atomic-scale details, yet for insulators, resolving surface structures remains a challenge. The basal (0001) plane of ${\alpha}$-Al$_{2}$O$_{3}$ was imaged with noncontact atomic…
Silicon telluride (Si2Te3) is a silicon-based 2D chalcogenide with potential applications in optoelectronics. It has a unique crystal structure where Si atoms form Si-Si dimers to occupy the "metal" sites. In this paper, we report an ab…
Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…
We study the dielectric function of CuBr$_\mathrm{x}$I$_{1-\mathrm{x}}$ thin film alloys using spectroscopic ellipsometry in the spectral range between 0.7 eV to 6.4 eV, in combination with first-principles calculations based on density…
Surface-response functions are one of the most promising routes for bridging the gap between fully quantum-mechanical calculations and phenomenological models in quantum nanoplasmonics. Within all the currently available recipes for…
We show how to describe Coulomb renormalization effects and dielectric screening in semiconductors and semiconductor nanostructures within a first-principles density-matrix description. Those dynamic variables and approximation schemes…
The surface modes of a composite consisting of aligned metallic wires with square cross sections are investigated, on the basis of photonic band structure calculations. The effective long-wavelength dielectric response function is computed,…
A method to reconstruct weakly anisotropic inhomogeneous dielectric tensors inside a transparent medium is proposed. The mathematical theory of Integral Geometry is cast into a workable framework which allows the full determination of…
Density-functional theory calculations are used to verify the atomic structure of the $\sqrt{3}$$\times$$\sqrt{3}$ silicene phase grown on the Ag(111) surface. Recent experimental studies strongly suggested that the previous double-layer…
Dielectric metasurfaces require high refractive index contrast materials for optimum performance. This requirement imposes a severe restraint; devices have either been demonstrated at wavelengths of 700nm and above using high-index…
Previous calculations of the dielectric and optical properties of 2D materials often overlooked or circumvented the influence of vacuum spacing introduced in periodic calculations, which gave rise to mispredictions of the intrinsic…
In this article we report the results of global structural optimization of the Si(114) surface, which is a stable high-index orientation of silicon. We use two independent procedures recently developed for the determination of surface…
Consider the two-dimensional inverse elastic wave scattering by an infinite rough surface with a Dirichlet boundary condition. A non-interative sampling technique is proposed for detecting the rough surface by taking elastic wave…
We compute the polarization function in a doped three-dimensional anisotropic-Weyl semimetal, in which the fermion energy dispersion is linear in two components of the momenta and quadratic in the third. Through detailed calculations, we…
The oblique incidence of a Bessel beam on a dielectric slab with refractive index n1 surrounded by a medium of a refractive index n>n1 may be studied simply by expanding the Bessel beam into a set of plane waves forming the same angle with…
Influences of a substrate below samples in imaging performances are studied by reaching the solution to the dyadic Green's function, where the substrate is modeled as half space in the sample region. Then, theoretical and numerical analysis…
We re-consider the self-energy of a nodal (Dirac) fermion in a 2D d-wave superconductor. A conventional belief is that Im \Sigma (\omega, T) \sim max (\omega^3, T^3). We show that \Sigma (\omega, k, T) for k along the nodal direction is…
We present an efficient method for calculating strength functions using the finite amplitude method (FAM) for deformed superfluid heavy nuclei within the framework of the nuclear density functional theory. We demonstrate that FAM reproduces…