| Title: |
Interplay of metallicity, ferroelectricity, and layer charges in SmNiO 3 / BaTiO 3 superlattices |
| Authors: |
Simmen, Edith; Spaldin, Nicola A. |
| Contributors: |
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung |
| Source: |
Physical Review Research ; volume 7, issue 2 ; ISSN 2643-1564 |
| Publisher Information: |
American Physical Society (APS) |
| Publication Year: |
2025 |
| 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 capacitors. We find that, despite the metallic screening of , the spontaneous polarization of always aligns with the layer polarization of the formal charges. We also find zero critical thickness for the ferroelectricity in in this orientation. The opposite polarization direction is highly disfavored for thin 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 and slabs and to extract the influence of various material parameters on the behavior. We mimic a metal-insulator transition in the 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. |
| Document Type: |
article in journal/newspaper |
| Language: |
English |
| DOI: |
10.1103/physrevresearch.7.023044 |
| DOI: |
10.1103/PhysRevResearch.7.023044 |
| DOI: |
10.1103/PhysRevResearch.7.023044/fulltext |
| Availability: |
https://doi.org/10.1103/physrevresearch.7.023044; https://link.aps.org/article/10.1103/PhysRevResearch.7.023044; http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevResearch.7.023044/fulltext |
| Rights: |
https://creativecommons.org/licenses/by/4.0/ |
| Accession Number: |
edsbas.4CDCD784 |
| Database: |
BASE |