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

Franz Gähler, Christopher Kohler, Johannes Roth and Hans-Rainer Trebin
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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

A chapter in High Performance Computing in Science and Engineering ’02, 2003, pp 3-14 from Springer

Abstract: 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.

Keywords: Planar Strain; Strain Distribution; Message Passing Interface; Misorientation Angle; Diamond Lattice (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-59354-3_1

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DOI: 10.1007/978-3-642-59354-3_1

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