12,843 research outputs found
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
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