Related papers: The planar-to-tubular structural transition in bor…
The ionization dynamics of a Xenon cluster with 40 atoms is analyzed under a pum p probe scenario of laser pulses where an infrared laser pulse of 50 fs length follows with a well defined time delay a VUV pulse of the same length and peak…
Neutron reflectometry is a critical tool for investigating the structure of thin films and interfaces. However, the misapplication of the Born approximation to reflection geometry leads some to assume that the minimum thickness that may be…
The line shape of the plasma resonance in both neutral and charged small sodium clusters is calculated. The overall properties of the multipeak structure observed in the photoabsorption cross section of spherical Na_8 and Na_20 neutral…
The structure-property relation of nanostructured Al-doped ZnO thin films has been investigated in detail through a systematic variation of structure and morphology, with particular emphasis on how they affect optical and electrical…
Amorphous materials are integral part of todays technology, they commonly are performant and versatile in integration. Consequently, future applications increasingly aim to harvest the potential of the amorphous state. Establishing its…
Elementary semiconductors are rare and attractive, especially for low-dimensional materials. Unfortunately, most of boron nanostructures were found to be metallic, despite of their typical semiconducting bulk structure. Herein, we propose a…
We present a systematic study of the photo-absorption spectra of various Si$_{n}$H$_{m}$ clusters (n=1-10, m=1-14) using the time-dependent density functional theory (TDDFT). The method uses a real-time, real-space implementation of TDDFT…
We present a beyond mean-field study of clusters and molecular structures in low-spin states of $^{20}$Ne with a multireference relativistic energy density functional, where the dynamical correlation effects of symmetry restoration and…
We demonstrate that absorption saturation of a mid-infrared intersubband transition can be engineered to occur at moderate light intensities of the order of 10-20 kW$.$cm$^{-2}$ and at room temperature. The structure consists of an array of…
A microscopic model of adsorption in cluster forming systems with competing interaction is considered. The adsorption process is described by the master equation and modelled by a kinetic Monte Carlo method. The evolution of the particle…
We demonstrate that simultaneous reconstruction of scattering and absorption of a mesoscopic system using angularly-resolved measurements of scattered light intensity is possible. Image reconstruction is realized based on the algebraic…
We systematically examine the topological, valleytronic, and optical properties of experimentally accessible PbS (001) few-layers, with a focus on the monolayer. With even-odd layer-dependent oscillations and without band inversions, the…
We summarize the results of recent theoretical work on the dynamical evolution of globular clusters containing primordial binaries. Even a very small initial binary fraction (e.g., 10%) can play a key role in supporting a cluster against…
The deuteron is the lightest spin-1 nucleus, consisting of a weakly bound system of two spin-1/2 nucleons. One intriguing characteristic of the deuteron is the tensor polarized structure, which cannot be naively constructed combining the…
The capability to store light for extended periods of time enables optical cavities to act as narrow-band optical filters, whose linewidth corresponds to the cavity's inverse energy storage time. Here, we report on nonlinear filtering of an…
We compare the performance of an approach using real frequency dependent polarizability to compute optical absorption spectra to linear-response time-dependent density functional theory (TD-DFT) for small organic dyes, oligomers of…
Quasar spectra reveal a rich array of important astrophysical information about galaxies which intersect the quasar line of sight. They also enable tests of the variability of fundamental constants over cosmological time and…
Critical coupling has emerged as a prominent area of research in recent years. However, most theoretical models are based on scalar theories (and occasionally coupled mode theories), which inadequately account for the polarization states of…
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…
Linear nanotubular boron-carbon heterojunctions are systematically constructed and studied with the help of ab initio total energy calculations. The structural compatibility of the two classes of materials is shown, and a simple recipe that…