Zupancic, Martina;
Aggoune, Wahib;
Gloter, Alexandre;
Hoffmann, Georg;
Schmidt, Franz-Philipp;
Galazka, Zbigniew;
Pfuetzenreuter, Daniel;
... Albrecht, Martin; + view all
(2024)
Polar discontinuity governs surface segregation and interface termination: A case study of LaIn O3/ BaSn O3.
Physical Review Materials
, 8
(3)
, Article 034602. 10.1103/PhysRevMaterials.8.034602.
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Abstract
We combine (scanning) transmission electron microscopy, electron energy loss spectroscopy (EELS), and x-ray 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/BaSnO3-based 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.
| Type: | Article |
|---|---|
| Title: | Polar discontinuity governs surface segregation and interface termination: A case study of LaIn O3/ BaSn O3 |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevMaterials.8.034602 |
| Publisher version: | ttps://doi.org/10.1103/PhysRevMaterials.8.034602 |
| Language: | English |
| Additional information: | This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10191572 |
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