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Computation of Strain Distributions in Quantum Dot Nanostructures by Means of Atomistic Simulations

In: High Performance Computing in Science and Engineering ’02

Author

Listed:
  • Franz Gähler

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Christopher Kohler

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Johannes Roth

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

  • Hans-Rainer Trebin

    (Universität Stuttgart, Institut für Theoretische und Angewandte Physik)

Abstract

Strain distributions around Ge quantum dots embedded in a Si matrix are computed by means of classical molecular dynamics simulations using the molecular dynamics code IMD. The Tersoff potential is employed in order to model covalent bonds. Two crystal lattice structures are considered, the cubic and hexagonal diamond structure. The distributions of the planar strain are studied for a large number of system sizes and lattice misorientations. In a second part, the scaling of IMD is analyzed for different parallelization schemes and machine architectures.

Suggested Citation

  • Franz Gähler & Christopher Kohler & Johannes Roth & Hans-Rainer Trebin, 2003. "Computation of Strain Distributions in Quantum Dot Nanostructures by Means of Atomistic Simulations," Springer Books, in: Egon Krause & Willi Jäger (ed.), High Performance Computing in Science and Engineering ’02, pages 3-14, Springer.
  • Handle: RePEc:spr:sprchp:978-3-642-59354-3_1
    DOI: 10.1007/978-3-642-59354-3_1
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