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Description:

LixLa(1–x)/3NbO3 with an A-site-deficient perovskite structure was investigated with a focus on the relationship between its atomic configuration and Li+ diffusion properties. To this end, total scattering (diffraction) measurements were performed, and then reverse Monte Carlo modeling using the data was employed to construct the atomic configuration. The results suggest that the local structure around La in the La-poor layer is suitable for Li+ diffusion across the layer. Furthermore, topology analyses conducted via persistent homology using the constructed atomic configuration indicate that a large fourfold ring formed by Nb and O is one of the reasons for superior Li+ diffusion in LixLa(1–x)/3NbO3.

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• Creative Commons BY Attribution 4.0 International
  

Keyword: Local structure, A-site-deficient perovskite, Li+ conduction, Total scattering

Date published: 2026-04-01

Publisher: Ceramic Society of Japan

Journal:

• Journal of the Ceramic Society of Japan (ISSN: 13486535) vol. 134 issue. 4 p. 225-231 25074

Funding:

• JSPS 20H05881 (Grants-in-Aid for Transformative Research Areas (A) “Hyper-Ordered Structures Science”)

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.2109/jcersj2.25074

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Updated at: 2026-04-03 09:42:46 +0900

Published on MDR: 2026-04-03 12:26:46 +0900