| Title: |
Interplay of metallicity, ferroelectricity, and layer charges in SmNiO3/BaTiO3 superlattices |
| Authors: |
Simmen, Edith; Spaldin, Nicola; id_orcid:0 000-0003-0709-9499 |
| Source: |
Physical Review Research, 7 (2) |
| Publisher Information: |
American Physical Society |
| Publication Year: |
2025 |
| Collection: |
ETH Zürich Research Collection |
| Description: |
Using density-functional theory, we demonstrate that the formal layer charges of the metallic samarium nickelate electrode influence the spontaneous ferroelectric polarization of the barium titanate in SmNiO3/BaTiO3 capacitors. We find that, despite the metallic screening of SmNiO3, the spontaneous polarization of BaTiO3 always aligns with the layer polarization of the SmNiO3 formal charges. We also find zero critical thickness for the ferroelectricity in BaTiO3 in this orientation. The opposite polarization direction is highly disfavored for thin BaTiO3 slabs but becomes less unstable with increasing slab thickness. We construct a simple electrostatic model that allows us both to study the behavior for thicker BaTiO3 and SmNiO3 slabs and to extract the influence of various material parameters on the behavior. We mimic a metal-insulator transition in the SmNiO3 by varying the metallic screening length, which we find influences the stability of the ferroelectric polarization. Our results show that layer charges in the metal electrodes strongly influence the properties of ferroelectric capacitors and can even provide new ways to control them. ; ISSN:2643-1564 |
| Document Type: |
article in journal/newspaper |
| File Description: |
application/application/pdf |
| Language: |
English |
| Relation: |
info:eu-repo/semantics/altIdentifier/wos/001469234400003; https://hdl.handle.net/20.500.11850/732368 |
| DOI: |
10.3929/ethz-b-000732368 |
| Availability: |
https://hdl.handle.net/20.500.11850/732368; https://doi.org/10.3929/ethz-b-000732368 |
| Rights: |
info:eu-repo/semantics/openAccess ; http://creativecommons.org/licenses/by/4.0/ ; Creative Commons Attribution 4.0 International |
| Accession Number: |
edsbas.3140C47E |
| Database: |
BASE |