Quantifying Atomic Structural Disorder Using Procrustes Shape Analysis

Jinchen Han; Henry T. Aller; Alan J. H. McGaughey

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arXiv · 2303.04108

Quantifying Atomic Structural Disorder Using Procrustes Shape Analysis

Jinchen Han·Henry T. Aller·Alan J. H. McGaughey

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Abstract

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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Jinchen Han, Henry T. Aller, Alan J. H. McGaughey. 2023-03-07. Quantifying Atomic Structural Disorder Using Procrustes Shape Analysis. https://arxiv.org/abs/2303.04108

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