KIT | KIT-Bibliothek | Impressum | Datenschutz

Oxygen vacancies at dislocation core modulate plasticity in strontium titanate

Kang, Min-Chul; Yan, Chunxu; Frisch, Alexander 1; Fang, Xufei ORCID iD icon 1; Xiong, Liming; Zhou, Lin
1 Institut für Angewandte Materialien – Werkstoff- und Grenzflächenmechanik (IAM-MMI), Karlsruher Institut für Technologie (KIT)

Abstract:

Dislocation core chemistry in oxides critically influences mechanical behavior and functionality; yet the evolution of core chemistry during the dislocation motion in them has not been directly observed. Here, using SrTiO$_3$ as a model material, we combine aberration-corrected scanning transmission electron microscopy and electron energy-loss spectroscopy with atomic-level molecular dynamics (MD) simulations to correlate the ⟨110⟩{1̅10} dislocation core structure, oxygen vacancy density, charge state, and mobility with each other. We find that the mechanically induced dislocation loops exhibit dissociated cores, whose oxygen vacancy density depends on the gliding distance: short loops are Ti-reduced and oxygen-deficient at the edge dislocation core, whereas longer loops remain close to stoichiometry in both the edge and screw components. MD simulations reveal that kink-assisted edge dislocation glide in SrTiO$_3$ leaves oxygen-deficient trails behind, modulating the oxygen content inside the edge core. These results demonstrate that oxygen-vacancy evolution at the dislocation core intrinsically couples with plasticity in ionic crystals, suggesting a mechanism for oxygen vacancy-dependent dislocation mobility in plastically deformed oxides.


Download
Originalveröffentlichung
DOI: 10.1016/j.actamat.2026.122283
Zugehörige Institution(en) am KIT Institut für Angewandte Materialien – Werkstoff- und Grenzflächenmechanik (IAM-MMI)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 07.2026
Sprache Englisch
Identifikator ISSN: 1359-6454
KITopen-ID: 1000199099
Erschienen in Acta Materialia
Verlag Elsevier
Band 313
Seiten Art.Nr: 122283
Vorab online veröffentlicht am 27.04.2026
Schlagwörter Dislocations; Oxygen deficiency; Strontium titanate; STEM-EELS; Atomistic simulations
Nachgewiesen in Scopus
Web of Science
OpenAlex
KIT – Die Universität in der Helmholtz-Gemeinschaft
KITopen Landing Page