Regensburg 2010 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 31: Poster I: Devices, Quantum Dots and Quantum Wires
HL 31.20: Poster
Tuesday, March 23, 2010, 18:30–20:30, Poster D1
Influence of SiO2 matrices on electronic and optical properties of silicon nanocrystals — •Kaori Seino1, Friedhelm Bechstedt1, and Peter Kroll2 — 1nstitut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität, Jena, Germany — 2Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, TX, USA
In recent years, there has been considerable interest in nanostructured silicon since it is a promising material for quantum devices of next generations. Nanocrystals (NCs) have attracted much attention due to the effects of the quantum confinement. Effects due to the confinement of electrons and holes in a region of reduced dimensions promise to overcome the limitation of the indirect-gap semiconductor Si for optoelectronic applications.
We perform calculations of Si dots in SiO2 matrices for various dot sizes by means of density functionary theory within the local-density approximation (DFT-LDA). Many theoretical results are available for isolated NCs, e.g. hydrogenated Si NCs or partially or fully oxidized Si NCs. On the other hand, theoretical studies for Si NCs embedded in SiO2 are limited. In our approach amorphous SiO2 is used as matrix region, which leads to first calculations of electronic and optical properties within a realistic model. We demonstrate the strong influence of SiO2 matrix on the electronic and optical properties of nanocrystalline silicon.