Kazuma Seike (a Graduate School of Science and Engineering, Kagoshima University) ; Hirotaka Manaka ; Yoko Miura
Description:
(abstract)In materials science, experimental conditions are precisely controlled to ensure high reproducibility. This property is well suited for causal inference in statistics, yet its potential remains unrealized. In this study, we integrate causal inference with structural equation modeling (SEM) to analyze birefringence images of the stress-induced ferroelectric SrTiO 3. Random forest analysis identified retardance at 14.1 K, ๐ฟโก(1โข4.1โข๐พ), as a key predictor of the ferroelectric phase transition temperature, ๐F. SEM revealed strong correlations between ๐F and ๐ฟs, although multicollinearity in ๐ฟs necessitated sparse principal component analysis to transform ๐ฟโก(1โข4.1โข๐พ) and ๐ฟโก(4โข0.0โข๐พ) into two independent components, ๐๐ถโข1 and ๐๐ถโข2, for subsequent causal analysis. Directed acyclic graphs (DAG) based on SEM helped infer causal relationships, revealing ๐๐ถโข1โs predominant influence on ๐F in stress/strain-concentrated regions (cluster E12) and ๐๐ถโข2โs influence in uniform stress/strain regions (cluster E34). Two-model learner (T-Learner) analysis revealed the factors behind the higher ๐F in E12 than in E34. Specifically, the difference in magnitude of the piezoelectric effect, which occurs uniformly throughout the substrate, causes ๐F to increase by 0.36 K [0.18 K, 0.54 K], while the flexoelectric effect, which occurs only in E12, causes it to increase by an additional 1.49 K [1.23 K, 1.75 K]. These findings demonstrate the utility of causal inference in disentangling piezoelectric and flexoelectric effects in the stress-induced ferroelectric SrTiO 3.
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Keyword: Causal inference, SEM, DAG, T-Learner, random forest, flexoelectricity, piezoelectricity, birefringence image, stress-induced ferroelectricity, SrTiO3
Date published: 2025-05-16
Publisher: Taylor & Francis
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Funding:
Manuscript type: Author's version (Accepted manuscript)
MDR DOI: https://doi.org/10.48505/nims.5486
First published URL: https://doi.org/10.1080/27660400.2025.2503698
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Updated at: 2025-05-19 16:16:12 +0900
Published on MDR: 2025-05-20 08:18:55 +0900
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