Minimum energy paths for dislocation nucleation in strained epitaxial layers
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© 2002 American Physical Society (APS). http://www.aps.org
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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en
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241408/1-4
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Physical Review B, Volume 65, Issue 24
Abstract
We study numerically the minimum energy path and energy barriers for dislocation nucleation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Stress relaxation processes from coherent to incoherent states for different transition paths are determined using saddle point search based on a combination of repulsive potential minimization and the Nudged Elastic Band method. The minimum energy barrier leading to a final state with a single misfit dislocation nucleation is determined. A strong tensile-compressive asymmetry is observed. This asymmetry can be understood in terms of the qualitatively different transition paths for the tensile and compressive strains.Description
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Trushin, O. & Granato, E. & Ying, S. C. & Salo, P. & Ala-Nissilä, Tapio. 2002. Minimum energy paths for dislocation nucleation in strained epitaxial layers. Physical Review B. Volume 65, Issue 24. P. 241408/1-4. ISSN 1098-0121 (printed). DOI: 10.1103/physrevb.65.241408.