Dislocation-related surface-layer effect in SrTiO3 single crystals

Oxygen vacancies (VOs) and their distribution can affect oxides' properties from various aspects. In this work, we present a dislocation-related surface-layer effect in single crystal SrTiO3 (STO). Our results from the first principles calculations based on density functional theory along with...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Journal of applied physics 2023-04, Vol.133 (13)
Hauptverfasser: Li, Yide, Liu, Zhijie, Cao, Wenjun, Huang, Shouguo, Li, Feng, Guo, Youmin, Xu, Yichun, Wang, Chunchang
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:Oxygen vacancies (VOs) and their distribution can affect oxides' properties from various aspects. In this work, we present a dislocation-related surface-layer effect in single crystal SrTiO3 (STO). Our results from the first principles calculations based on density functional theory along with our experimental research based on angle-resolved x-ray photoelectron spectroscopy indicate that, in contrast with bulk STO where VOs tend to cluster in a line, as depth increases from surface region, the concentration of VOs increases first, reaches a maximum value, and then decreases to a saturation value. This effect was argued to be the combinative result of the oxygen-vacancy diffusion along the dislocation lines and the ambient oxygen-atom incorporation into the crystal.
ISSN:0021-8979
1089-7550
DOI:10.1063/5.0135076