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The structural control of silicon nanocrystals is an important technological problem. Typically a distribution of nanocrystal sizes and shapes emerges under the uncontrolled aggregation of smaller clusters. The aim of this computational…
We report on simulations and measurements of the optical absorption of silicon nanowires (NWs) versus their diameter. We first address the simulation of the optical absorption based on two different theoretical methods : the first one,…
Correlated emission of light offer a potential avenue for entanglement generation between atomic spins, with potential application for sensing and quantum memory. In this work, we investigate the conditions for the correlated emission by…
A cluster consisting of many atoms or molecules may be considered, in some circustances, to be a single large molecule with a well defined polarizability. Once the polarizability of such a cluster is known, one can evaluate certain…
We provide a unified theoretical approach to the quantum dynamics of absorption of single photons and subsequent excitonic energy transfer in photosynthetic light-harvesting complexes. Our analysis combines a continuous mode <n>-photon…
Transition-metal nanoclusters exhibit structural and electronic properties that depend on their size, often making them superior to bulk materials for heterogeneous catalysis. However, their performance can be limited by sulfur poisoning.…
A recently proposed configuration-interaction based impurity solver is used in combination with the single-site and four-site cluster dynamical mean field approximations to investigate the three-band copper oxide model believed to describe…
The absorption spectrum of CO$_2$ in the wavelength range 120\,nm --- 160\,nm is analyzed by means of quantum mechanical calculations performed using vibronically coupled PESs of five singlet valence electronic states and the coordinate…
Modulating the electric potential on a conducting electrode is presented to generate an optical contrast for scattering microscopy that is sensitive to both surface charge and local topography. We dub this method…
We present a theoretical study of the unielectronic energy spectra, electron localization, and optical absorption of triangular core-shell quantum rings. We show how these properties depend on geometric details of the triangle, such as side…
A spherical quantum dot (QD) heterosystem CdS/SiO$_2$ has been studied. Each QD has a hydrogen-like impurity in its center. Besides that, it has been accounted that a polarization trap for electron exists at the interfaces due to the…
Interband absorption and luminescence of quasi-two-dimensional, circularly symmetric, N_e electron quantum dots are studied at high magnetic fields, 8<B<60 T, and low temperatures, T<<2 K. In the N_e=0 and 1 dots, the initial and final…
A theoretical interpretation of the photoluminescence excitation spectra of self-organized polar GaN/(Al,Ga)N quantum dots is proposed. A numerical method assuming a realistic shape of the dots and including the built-in electric field…
For the example of the SiC(111)-(3x3) reconstruction we show that a holographic interpretation of discrete Low Energy Electron Diffraction (LEED) spot intensities arising from ordered, large unit cell superstructures can give direct access…
With recent experiments investigating the optical properties of progressively smaller plasmonic particles, quantum effects become increasingly more relevant, requiring a microscopic description. Using the density matrix formalism we analyze…
By means of ab-initio calculations we investigate the optical properties of pure a-SiN$_x$ samples, with $x \in [0.4, 1.8]$, and samples embedding silicon nanoclusters (NCs) of diameter $0.5 \leq d \leq 1.0$ nm. In the pure samples the…
Electroabsorption spectroscopy of well-identified index-defined semiconducting carbon nanotubes is reported. The measurement of high definition electroabsorption spectra allows direct indexation with unique nanotube chirality. Results show…
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…
We aim to clarify the role that absorption plays in nonlinear optical processes in a variety of metallic nanostructures and show how it relates to emission and conversion efficiency. We define a figure of merit that establishes the…
Theory of optical absorption of linearly and circularly polarized light in surface and edge states in topological insulators is developed for a nonlinear in light intensity regime. The absorbance for surface states and the absorption width…