相关论文: Ionic structure and photoabsorption in medium size…
In this work, we report an interesting observation of partial ionic bonding due to charge transfer in homogeneous sodium clusters. The charge transfer causes the electronic charge to accumulate on the surface, and the resulting charges on…
Thin films are preferred for high photocurrent conversion efficiency, but strong photon absorption at photon energies below the bandgap (near and shortwave infrared) typically requires thicker semiconductor layers. To address this tradeoff,…
We calculate the excitation energies of small neutral sodium clusters in the framework of time-dependent density-functional theory. In the presented calculations, we extract these energies from the power spectra of the dipole and quadrupole…
Photoionization of neutral atomic sulfur in the ground and metastable states was studied experimentally at a photon energy resolution of 44 meV FWHM. Relative cross section measurements were recorded by using tunable vacuum ultraviolet…
A new type of resonant light absorption by a small particle (nanocluster) is reported. The problem cannot be described within the commonly used dipole scattering approximation and should be studied with methods based upon the exact Mie…
Embedded Si and Ge nanocrystals (NCs) in wide band-gap matrices are studied theoretically using an atomistic pseudopotential approach. From small clusters to large NCs containing on the order of several thousand atoms are considered.…
Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understanding of their physical and chemical properties. A systematic…
We present an ab-initio study of the hybridization of localized surface plasmons in a metal nanoparticle dimer. The atomic structure, which is often neglected in theoretical studies of quantum nanoplasmonics, has a strong impact on the…
We present a route to near-perfect absorption in compact photonic-crystal (PC) structures constructed from strongly absorbing media that are typically highly reflective in bulk form. Our analysis suggests that the key underlying mechanism…
Low-energy structures of a hybrid system consisting of a polymer and an attractive nanowire substrate as well as the thermodynamics of the adsorption transition are studied by means of Monte Carlo computer simulations. Depending on…
Periodic arrays of noble metal nanoparticles are emblematic nanostructures in photonics. Their ability to sustain localized surface plasmon resonances has been used throughout the years to demonstrate a variety of passive and active…
We have performed systematic large-scale all-electron correlated calculations on boron clusters B$_{n}$(n=2--5), to study their linear optical absorption spectra. Several possible isomers of each cluster were considered, and their…
In this paper, a photonic crystal containing graphene and metamaterial layers is investigated. The absorption spectrum of the structure in the terahertz range is obtained using the transfer matrix method. The results show that by adding a…
A theoretical study of the electronic properties of nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with…
The collective response of metal nanostructures to optical excitation leads to localized plasmon generation with nanoscale field confinement driving applications in e.g. quantum optics, optoelectronics, and nanophotonics, where a bottleneck…
We design photonic structures embedding different functional molecular systems of photochromic switching and lasing. We study the light absorption of two photochromic molecules and of 4,4'-bis[(N-carbazole)styryl]biphenyl (BSB-Cz) with…
We report on the fabrication of two-dimensional periodic photonic nanostructures by nanoimprint lithography and dry etching, and their integration into a 1-{\mu}m-thin mono-crystalline silicon solar cell. Thanks to the periodic…
Surface lattice resonance supported on plasmonic nanoparticle arrays enhances light-matter interactions for applications such as photoluminescence enhancement. The photoluminescence process is enhanced through confining light beyond the…
Several dissociated and two non-dissociated adsorption structures of the phenol molecule on the Si(001)-(2 \times 1) surface are studied using density functional theory with various exchange and correlation functionals. The relaxed…
The discovery of superconductivity at 203K in SH$_3$ is an important step toward higher values of $T_c$. Predictions based on state-of-the-art DFT for the electronic structure, including one preceding experimental confirmation, showed the…