Dataset

FZJ-2026-05460

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Replication Data for: Unlocking Stable Intermediate States in SrFeO3-δ Through Voltage Control of Oxygen Non-Stoichiometry

Nizet, P. ; Chiabrera, F. M. ; Ruiz Caridad, A. ; Kaus, A. ; Falcó Artero, O. ; Zhang, L. ; Yedra, L. ; Estrade, S. ; Dittmann, R.FZJ* ; Peiro, F. ; Gunkel, F.FZJ* ; Tarancon, A. ; de Recerca en Energia de Catalunya, d. e. d. ; de Recerca en Energia de Catalunya, d. e. d. ; Chiabrera, F. ; Tarancón, A.

2026
CORA.Repositori de Dades de Recerca

This record in other databases:  

Please use a persistent id in citations: doi:10.34810/DATA3361

Abstract: The dataset contains the source data associated with the main figures of the manuscript and the supporting information of Unlocking Stable Intermediate States in SrFeO3-δ Through Voltage Control of Oxygen Non-Stoichiometry. The data support the structural, electrochemical, electronic transport, optical, and thermodynamic analyses of voltage-controlled intermediate oxidation states in SrFeO3-δ thin films. The dataset also contains source data for the Supporting Information figures related to electrochemical cycling, voltage-step state setting, thickness-dependent conductivity, TEM-based lattice-parameter analysis, interface-related structural observations, conductivity modelling, optical-property analysis, band-gap extraction, and defect-chemistry model comparisons. These supplementary data support the analyses of equilibrium voltage relations, structural evolution across oxidation states, transport mechanisms, optical band evolution, and defect-chemistry interpretation. The dataset includes data for the following main figures: Figure 1 – Structural characterization of as-grown SrFeO3-δ thin films Source data include microscopy and diffraction data used to characterize the initial SrFeO3-δ thin-film heterostructure. These data comprise cross-sectional TEM imaging, AFM surface topography, X-ray diffraction scans, selected area electron diffraction patterns, and structural orientation analysis of the brownmillerite SrFeO3-δ phase. Figure 2 – In situ structural evolution during electrochemical oxidation Source data include electrochemical oxidation curves obtained from coulometric current integration, applied electrochemical potentials, calculated oxygen stoichiometry values, and in situ high-temperature XRD data. The dataset contains the evolution of the brownmillerite-related half-order peak intensity and the out-of-plane lattice parameter as a function of oxygen content, including measurements from films with different thicknesses. Figure 3 – Local structural characterization of intermediate oxidation states Source data include TEM, FFT, SAED, CBED/microdiffraction, and HAADF-STEM data acquired from SrFeO3-δ films stabilized at selected oxidation states. The data support the identification of brownmillerite, intermediate SrFeO2.75-like, and perovskite-like regions, as well as the analysis of Sr–Sr interatomic distances and comparison with simulated diffraction and STEM images. Figure 4 – Electronic transport across intermediate oxidation states Source data include electrical conductivity measurements as a function of oxygen stoichiometry and temperature. The dataset contains conductivity maps, isothermal conductivity data, cycling measurements between selected oxidation states, and room-temperature retention measurements over 72 hours. Model curves describing polaronic hopping, metallic band conduction, and Bruggeman effective-medium behavior are also included where applicable. Figure 5 – Thermodynamic and electronic-structure interpretation Source data include the experimental quantities used to construct the defect-chemistry analysis of SrFeO3-δ, including the standard free energy of oxidation as a function of oxygen stoichiometry and optical-transition energies extracted from ellipsometry. These data support the positive-deviation model and its connection to the evolution of the electronic structure during oxidation.

Keyword(s): Physics ; SrFeO3-δ ; Oxygen vacancies ; Topotactic transition ; Ionotronic devices ; Solid-state electrochemical pumping ; Metal–insulator transition

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Contributing Institute(s):

1. Elektronische Materialien (PGI-7)
2. JARA-FIT (JARA-FIT)

Research Program(s):

1. 5233 - Memristive Materials and Devices (POF4-523) (POF4-523)

Appears in the scientific report 2026

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