Identification of fullerene-like CdSe nanoparticles from optical spectroscopy calculations

Semiconducting nanoparticles are the building blocks of optical nanodevices as their electronic states, and therefore light absorption and emission, can be controlled by modifying their size and shape. CdSe is perhaps the most studied of these nanoparticles, due to the efficiency of its synthesis, the high quality of the resulting samples, and the fact that the optical gap is in the visible range. In this article, we study light absorption of CdSe nanostructures with sizes up to 1.5 nm within density functional theory. We study both bulk fragments with wurtzite symmetry and novel fullerene-like core-cage structures. The comparison with recent experimental optical spectra allows us to confirm the synthesis of these fullerene-like CdSe clusters

Excitonic effects in the optical properties of CdSe nanowires

Using a first-principle approach beyond density functional theory we calculate the electronic and optical properties of small diameter CdSe nanowires.Our results demonstrate how some approximations commonly used in bulk systems fail at this nano-scale level and how indispensable it is to include crystal local fields and excitonic effects to predict the unique optical properties of nanowires. From our results, we then construct a simple model that describes the optical gap as a function of the diameter of the wire, that turns out to be in excellent agreement with experiments for intermediate and large diameters.Comment: submitte

Interaction-induced topological properties of two bosons in flat-band systems

In flat-band systems, destructive interference leads to the localization of non-interacting particles and forbids their motion through the lattice. However, in the presence of interactions the overlap between neighbouring single-particle localized eigenstates may enable the propagation of bound pairs of particles. In this work, we show how these interaction-induced hoppings can be tuned to obtain a variety of two-body topological states. In particular, we consider two interacting bosons loaded into the orbital angular momentum $l=1$ states of a diamond-chain lattice, wherein an effective $\pi$ flux may yield a completely flat single-particle energy landscape. In the weakly-interacting limit, we derive effective single-particle models for the two-boson quasiparticles which provide an intuitive picture of how the topological states arise. By means of exact diagonalization calculations, we benchmark these states and we show that they are also present for strong interactions and away from the strict flat-band limit. Furthermore, we identify a set of doubly localized two-boson flat-band states that give rise to a special instance of Aharonov-Bohm cages for arbitrary interactions