Analysis of Strain Fields in Silicon Nanocrystals

Details Analysis of Strain Fields in Silicon Nanocrystals Analysis of Strain Fields in Silicon Nanocrystals

2009-05-20

arxiv.org/abs/0905.3277v1

Appl. Phys. Lett. 94, 191914 (2009)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Published in Applied Physics Letters Vol. 94, 191914 (2009)

Scientific paper

10.1063/1.3138163

Strain has a crucial effect on the optical and electronic properties of nanostructures. We calculate the atomistic strain distribution in silicon nanocrystals up to a diameter of 3.2 nm embedded in an amorphous silicon dioxide matrix. A seemingly conflicting picture arises when the strain field is expressed in terms of bond lengths versus volumetric strain. The strain profile in either case shows uniform behavior in the core, however it becomes nonuniform within 2-3 \AA distance to the nanocrystal surface: tensile for bond lengths whereas compressive for volumetric strain. We reconsile their coexistence by an atomistic strain analysis.

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