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Zupancic, Martina ; Aggoune, Wahib ; Gloter, Alexandre ; Hoffmann, Georg ; Schmidt, Franz -Philipp ; Galazka, Zbigniew ; Pfützenreuter, Daniel ; Riaz, Aysha A. ; Schlueter, Christoph ; Amari, Houari ; Regoutz, Anna ; Schwarzkopf, Jutta ; Lunkenbein, Thomas ; Bierwagen, Oliver ; Draxl, Claudia ; Albrecht, Martin:
Polar discontinuity governs surface segregation and interface termination : A case study of LaInO₃/BaSnO₃.
In: Physical Review Materials.
Bd. 8
(2024)
Heft 3
.
- 034602.
ISSN 2475-9953
DOI: https://doi.org/10.1103/PhysRevMaterials.8.034602
Abstract
We combine (scanning) transmission electron microscopy, electron energy loss spectroscopy (EELS), and xray photoelectron spectroscopy (XPS) with density functional theory (DFT) to investigate the complex interplay of surface energetics and polar discontinuity compensation in the interface formation of (001) LaInO3/BaSnO3based heterostructures. We present evidence from both experiment and theory that the BaSnO3 surface with BaO termination is energetically favored over a wide range of chemical potentials. However, overgrowth of the nonpolar BaO-terminated surface with LaInO3 results in a SnO2-terminated interface. EELS and XPS show that this interfacial termination exchange is mediated by Ba segregation to the growth surface. Our DFT calculations show that the efficient compensation of the polar discontinuity, attributed to polar distortions within BaSnO3 at the SnO2-terminated interface, serves as the driving force behind the observed Ba segregation. This intricate interplay underscores the importance of polar discontinuity compensation as a pivotal factor influencing interface formation in perovskite systems.
Weitere Angaben
| Publikationsform: | Artikel in einer Zeitschrift |
|---|---|
| Begutachteter Beitrag: | Ja |
| Zusätzliche Informationen: | WOS:001195569900003 |
| Institutionen der Universität: | Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften > Fachgruppe Chemie |
| Titel an der UBT entstanden: | Nein |
| Themengebiete aus DDC: | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Eingestellt am: | 12 Jun 2025 09:19 |
| Letzte Änderung: | 12 Jun 2025 09:19 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/93661 |
