Paper
30 January 2022 Competing mechanisms of strain relaxation in Ge/Si(001) heteroepitaxy
Author Affiliations +
Proceedings Volume 12157, International Conference on Micro- and Nano-Electronics 2021; 121571D (2022) https://doi.org/10.1117/12.2619657
Event: International Conference on Micro- and Nano-Electronics 2021, 2021, Zvenigorod, Russian Federation
Abstract
Atomistic simulation with semiempirical Stillinger-Weber potential has been used to study the energetics of strain relaxation in Ge/Si(001) heteroepitaxial system. Several alternative scenarios for misfit strain relief through dislocation nucleation have been investigated. Minimal energy path for each transition trajectory has been found using combination of modified DRAG and Nudged Elastic Band methods. Our results showed that standard 90° Lomer dislocation is the most favorable (global minimum) defect for this heteroepitaxial system. Alternative more complex defects containing two shifted 60° dislocations are indeed also local minima for this system, however corresponding to higher energy states. Their appearance in experiments might be the result of growth kinetics.
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O. S. Trushin "Competing mechanisms of strain relaxation in Ge/Si(001) heteroepitaxy", Proc. SPIE 12157, International Conference on Micro- and Nano-Electronics 2021, 121571D (30 January 2022); https://doi.org/10.1117/12.2619657
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KEYWORDS
Interfaces

Heteroepitaxy

Silicon

Systems modeling

Computer simulations

Germanium

Physics

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