Quantifying Atomic Structural Disorder Using Procrustes Shape Analysis

Quantifying Atomic Structural Disorder Using Procrustes Shape Analysis

In this study, we added vacancies adjacent to a Si/Ge interface to create a disordered structure. The structure was then relaxed using various strategies. We applied Procrustes shape analysis for disorder quantification and identifying different local atomic environments.

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Hauptverfasser: Han, Jinchen, Aller, Henry T, McGaughey, Alan J. H
Format: Artikel
Sprache:eng
Schlagworte:
Physics - Atomic Physics
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Beschreibung
Zusammenfassung:In this study, we added vacancies adjacent to a Si/Ge interface to create a disordered structure. The structure was then relaxed using various strategies. We applied Procrustes shape analysis for disorder quantification and identifying different local atomic environments.
DOI:10.48550/arxiv.2303.04108