Medium-EntropyChromites (Nd/La)0.25RE0.25Gd0.25Y0.25CrO3 (RE =Pr, Er, Sm, Dy, or Nd): Synthesis, Crystal Structure, and TheoreticalAnalysis of Oxygen-Ion Migration
Abstract Four-component medium-entropy chromites, (Nd/La)0.25RE0.25Gd0.25Y0.25CrO3 (RE = Pr, Er, Sm, Dy, or Nd), were synthesized via solution combustion. Whereas the Nd-based series formed single-phase orthorhombic perovskites (space group Pnma), their La-based analogues were multiphase. Both series exhibit a similar systematic composition–structure relationship, indicating that average structural parameters alone are insufficient to explain phase stability in medium-entropy chromites. BVSE analysis of oxygen-ion migration in the Nd-based compounds revealed a connected three-dimensional oxygen migration network with the lowest migration barrier (0.86 eV) for Nd0.25Er0.25Gd0.25Y0.25CrO3. Comparison with the corresponding ordered RECrO3 compounds shows that the variation of the calculated migration barriers is significantly smaller in the medium-entropy compositions, while the same compositional trend is preserved.
Authors
- Е. А. Шерстобитова (ORCID: https://orcid.org/0000-0002-4443-1318)
- Л.А. Пасечник (ORCID: https://orcid.org/0000-0002-0631-5287)
- Natalia A. Kabanova (ORCID: https://orcid.org/0000-0002-8991-5009)
- M. I. Pantyukhina (ORCID: https://orcid.org/0000-0002-8120-3744)
- Andrey F. Gubkin
- Tatiana V. Kuznetsova
- Ilya M. Kantur
Institutions
- Ural Federal University (RU)
- Samara State Technical University (RU)
- N.N. Krasovskii Institute of Mathematics and Mechanics of the Ural Branch of the Russian Academy of Sciences (RU)
- Institute of Chemistry, Komi Science Center (RU)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2026-08-03
- DOI
- https://doi.org/10.1021/acs.inorgchem.6c02029
- Primary Topic
- High Entropy Alloys Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00