Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2010-02-08
Appl. Phys. Lett. 96, 123106 (2010)
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
submitted
Scientific paper
10.1063/1.3368126
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.
Botti Silvana
Marques Miguel A. L.
Vilhena J. G.
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