Computational Analysis of Low-Energy Dislocation Configurations in Graded Layers

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ID: 111608
2020
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Abstract
Graded layers are widely exploited in semiconductor epitaxy as they typically display lower threading dislocation density with respect to constant-composition layers. However, strain relaxation occurs via a rather complex distribution of misfit dislocations. Here we exploit a suitable computational approach to investigate dislocation distributions minimizing the elastic energy in overcritical constant-composition and graded layers. Predictions are made for SiGe/Si systems, but the methodology, based on the exact (albeit in two dimensions and within linear elasticity theory) solution of the stress field associated with a periodic distribution of defects, is general. Results are critically compared with experiments, when possible, and with a previous mean-field model. A progressive transition from one-dimensional to two-dimensional distributions of defects when continuous linear grading is approached is clearly observed. Interestingly, analysis of the low-energy distribution of dislocations reveals close analogies with typical pile-ups as produced by dislocation multiplication.
Reference Key
lanzoni2020crystalscomputational Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Daniele Lanzoni, Fabrizio Rovaris, Francesco Montalenti, Daniele Lanzoni, Fabrizio Rovaris, Francesco Montalenti
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Journal crystals
Year 2020
DOI
10.3390/cryst10080661
URL
https://www.mdpi.com/2073-4352/10/8/661/htm
Keywords
modeling dislocation heteroepitaxy sige

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