Excitonic effects and optical properties of passivated CdSe clusters
| dc.creator | del Puerto, Marie Lopez | |
| dc.creator | Tiago, Murilo L. | |
| dc.creator | Chelikowsky, James R. | |
| dc.date | 2006-08-24 | |
| dc.date.accessioned | 2026-07-07T07:19:47Z | |
| dc.date.available | 2026-07-07T07:19:47Z | |
| dc.description | We calculate the optical properties of a series of passivated non-stoichiometric CdSe clusters using two first-principles approaches: time-dependent density functional theory within the local density approximation, and by solving the Bethe-Salpeter equation for optical excitations with the GW approximation for the self-energy. We analyze the character of optical excitations leading to the first low-energy peak in the absorption cross-section of these clusters. Within time-dependent density functional theory, we find that the lowest-energy excitation is mostly a single-level to single-level transition. In contrast, many-body methods predict a strong mixture of several different transitions, which is a signature of exciton effects. We also find that the majority of the clusters have a series of dark transitions before the first bright transition. This may explain the long radiative lifetimes observed experimentally | |
| dc.description | 4 pages, to appear in Phys. Rev. Lett | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0608521 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0608521 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/114757 | |
| dc.subject | Materials Science | |
| dc.title | Excitonic effects and optical properties of passivated CdSe clusters | |
| dc.type | text |