Ab-initio Characterization of Colloidal IV-VI Semiconductor Quantum Dots

R. Leitsmann () and F. Bechstedt
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R. Leitsmann: Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und -optik

A chapter in High Performance Computing in Science and Engineering '09, 2010, pp 61-73 from Springer

Abstract: Abstract We investigate structural, electronic and optical properties of colloidal IV-VI semiconductor quantum dots (QDs) using an ab initio pseudopotential method and a repeated super cell approximation. In particular rhombo-cubo-octahedral quantum dots (QDs) with a pseudo-hydrogen passivation shell consisting of PbSe, PbTe and SnTe are investigated for different QD sizes. The obtained dependence of the confinement energy on the QD size questions the use of 3-dimensional spherical potential well models for very small QD structures.

Keywords: Local Density Approximation; Local Density Approximation Band; Strong Ionic Character; Similar Electronic Property; Bulk Bond Length (search for similar items in EconPapers)
Date: 2010
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-04665-0_5

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DOI: 10.1007/978-3-642-04665-0_5

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