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Quantum Confined Stark Effect in Embedded PbTe Nanocrystals

In: High Performance Computing in Science and Engineering '08

Author

Listed:
  • R. Leitsmann

    (Friedrich-Schiller-Universität Jena, European Theoretical Spectroscopy Facility (ETSF) and Institut für Festkörpertheorie und -optik)

  • F. Bechstedt

    (Friedrich-Schiller-Universität Jena, European Theoretical Spectroscopy Facility (ETSF) and Institut für Festkörpertheorie und -optik)

  • F. Ortmann

    (Friedrich-Schiller-Universität Jena, European Theoretical Spectroscopy Facility (ETSF) and Institut für Festkörpertheorie und -optik)

Abstract

Summary We investigate structural and electronic properties of PbTe nanocrystals (NCs) embedded in a CdTe matrix using an ab initio pseudopotential method and a repeated super cell approximation. The dot-matrix interface structure was found to be in good agreement with observations at planar PbTe/CdTe interfaces. In particular the so called rumpling effect at Te-terminated {100}PbTe/CdTe interfaces is of the same order of magnitude. Calculations concerning the stability of the embedded PbTe NCs confirm the assumption of a rhombo-cubo-octahedron equilibrium crystal shape (ECS). The occurrence of internal electrostatic fields as a consequence of the polar dot-matrix interfaces is demonstrated. The resulting internal quantum confined Stark effect (IQCSE) leads to a spatial separation of electron and hole wavefunctions in the NCs and, hence, to a reduction of the optical oscillator strength at low temperatures.

Suggested Citation

  • R. Leitsmann & F. Bechstedt & F. Ortmann, 2009. "Quantum Confined Stark Effect in Embedded PbTe Nanocrystals," Springer Books, in: Wolfgang E. Nagel & Dietmar B. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering '08, pages 59-70, Springer.
    • Handle: RePEc:spr:sprchp:978-3-540-88303-6_5
    DOI: 10.1007/978-3-540-88303-6_5
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