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

In: High Performance Computing in Science and Engineering '09

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  • R. Leitsmann

    (Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und -optik)

  • F. Bechstedt

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.

Suggested Citation

  • R. Leitsmann & F. Bechstedt, 2010. "Ab-initio Characterization of Colloidal IV-VI Semiconductor Quantum Dots," Springer Books, in: Wolfgang E. Nagel & Dietmar B. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering '09, pages 61-73, Springer.
    • Handle: RePEc:spr:sprchp:978-3-642-04665-0_5
    DOI: 10.1007/978-3-642-04665-0_5
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