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Title:INFLUENCE OF STRUCTURAL RELAXATION ON THE OPTICAL AND ELECTRONIC PROPERTIES OF Ge and Si NANOCRYSTALS
DOI No:10.1142/9789812701879_0040
Source:CLUSTERS AND NANO-ASSEMBLIES (pp 349-353)
Author(s):HANS-CHRISTIAN WEISSKER
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany

JÜRGEN FURTHMÜLLER
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany

FRIEDHELM BECHSTEDT
Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany

Abstract:A proper account of the structural relaxation is found to be indispensable for the calculation of the electronic and optical properties of nanocrystals. While the average bond lengths are reduced as compared with the respective bulk bond lengths, the individual bond lengths show a strong variation. While they are shortened near the surface, they are enlarged at the center of the crystallite. For Ge crystallites, the radiative lifetimes are strongly reduced. Ge is predicted to be better for light-emitting applications than Si.
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