pith:HHL7GLU5
Inter-defect interactions, oxygen-vacancy distribution, and oxidation in acceptor-doped ABO3 perovskites
In acceptor-doped ABO3 perovskites, oxygen vacancy-impurity interactions outweigh inter-vacancy correlations in shaping defect distribution, local coordination, and oxidation.
arxiv:2512.20693 v2 · 2025-12-23 · cond-mat.mtrl-sci · cond-mat.dis-nn · cond-mat.stat-mech
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Claims
The results demonstrate that under realistic energy parameters the interaction between oxygen vacancies and impurities generally has a greater impact on the studied properties than inter-vacancy correlations.
The assumption that the chosen energy parameters are realistic and that the developed statistical theory plus Monte Carlo simulations accurately capture the inter-defect interactions and thermodynamics without missing physical effects.
Inter-defect interactions in acceptor-doped ABO3 perovskites reduce hole concentration, increase oxidation enthalpy, and show dopant-content-dependent effects, with impurity-vacancy interactions dominating vacancy distribution.
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| First computed | 2026-05-17T23:39:00.413460Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
39d7f32e9d8eef0ba48757f6d498346c795bf6eed282f0fcbea28ae779d58efa
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curl -sH 'Accept: application/ld+json' https://pith.science/pith/HHL7GLU5R3XQXJEHK73NJGBUNR \
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Canonical record JSON
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