Mechanical coupling of polar topologies and oxygen octahedra rotations in PbTiO$_3$/SrTiO$_3$ superlattices
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arXiv
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| Autores principales: | , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866914083844915200 |
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| author | Gómez-Ortiz, Fernando Bastogne, Louis He, Xu Ghosez, Philippe |
| author_facet | Gómez-Ortiz, Fernando Bastogne, Louis He, Xu Ghosez, Philippe |
| contents | PbTiO$_3$/SrTiO$_3$ artificial superlattices recently emerged as a prototypical platform for the emergence and study of polar topologies. While previous studies mainly focused on the polar textures inherent to the ferroelectric PbTiO$_3$ layers, the oxygen octahedra rotations inherent to the paraelectric SrTiO$_3$ layers have attracted much little attention. Here, we highlight a biunivocal relationship between distinct polar topologies -- including $a_1/a_2$ domains, polar vortices, and skyrmions -- within the PbTiO$_3$ layers and specific patterns of oxygen octahedra rotations in the SrTiO$_3$ layers. This relationship arises from a strain-mediated coupling between the two materials and is shown to be reciprocal. Through second-principles atomistic simulations, we demonstrate that each polar texture imposes a corresponding rotation pattern, while conversely, a frozen oxygen octahedra rotation dictates the emergence of the associated polar state. This confirms the strong coupling between oxygen octahedra rotations in SrTiO$_3$ and polarization in PbTiO$_3$, highlighting their cooperative role in stabilizing complex polar textures in related superlattices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_08216 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Mechanical coupling of polar topologies and oxygen octahedra rotations in PbTiO$_3$/SrTiO$_3$ superlattices Gómez-Ortiz, Fernando Bastogne, Louis He, Xu Ghosez, Philippe Materials Science PbTiO$_3$/SrTiO$_3$ artificial superlattices recently emerged as a prototypical platform for the emergence and study of polar topologies. While previous studies mainly focused on the polar textures inherent to the ferroelectric PbTiO$_3$ layers, the oxygen octahedra rotations inherent to the paraelectric SrTiO$_3$ layers have attracted much little attention. Here, we highlight a biunivocal relationship between distinct polar topologies -- including $a_1/a_2$ domains, polar vortices, and skyrmions -- within the PbTiO$_3$ layers and specific patterns of oxygen octahedra rotations in the SrTiO$_3$ layers. This relationship arises from a strain-mediated coupling between the two materials and is shown to be reciprocal. Through second-principles atomistic simulations, we demonstrate that each polar texture imposes a corresponding rotation pattern, while conversely, a frozen oxygen octahedra rotation dictates the emergence of the associated polar state. This confirms the strong coupling between oxygen octahedra rotations in SrTiO$_3$ and polarization in PbTiO$_3$, highlighting their cooperative role in stabilizing complex polar textures in related superlattices. |
| title | Mechanical coupling of polar topologies and oxygen octahedra rotations in PbTiO$_3$/SrTiO$_3$ superlattices |
| topic | Materials Science |
| url | https://arxiv.org/abs/2510.08216 |