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| Main Authors: | , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2401.13026 |
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| _version_ | 1866929454834515968 |
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| author | Gómez-Ortiz, Fernando Graf, Mónica Junquera, Javier Íñiguez-González, Jorge Aramberri, Hugo |
| author_facet | Gómez-Ortiz, Fernando Graf, Mónica Junquera, Javier Íñiguez-González, Jorge Aramberri, Hugo |
| contents | Nanostructured ferroelectrics display exotic multidomain configurations resulting from the electrostatic and elastic boundary conditions they are subject to. While the ferroelectric domains appear frozen in experimental images, atomistic second-principles studies suggest that they may become spontaneously mobile upon heating, with the polar order {\sl melting} in a liquid-like fashion. Here we run molecular dynamics simulations of model systems (PbTiO$_3$/SrTiO$_3$ superlattices) to study the unique features of this transformation. Most notably, we find that the multidomain state looses its translational and orientational orders at different temperatures, resembling the behavior of liquid crystals and yielding an intermediate hexatic-like phase. Our simulations reveal the mechanism responsible for the melting and allow us to characterize the stochastic dynamics in the hexatic-like phase: we find evidence that it is thermally activated, with domain reorientation rates that grow from tens of gigahertzs to terahertzs in a narrow temperature window. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_13026 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Liquid-crystal-like dynamic transition in ferroelectric/dielectric superlattices Gómez-Ortiz, Fernando Graf, Mónica Junquera, Javier Íñiguez-González, Jorge Aramberri, Hugo Materials Science Nanostructured ferroelectrics display exotic multidomain configurations resulting from the electrostatic and elastic boundary conditions they are subject to. While the ferroelectric domains appear frozen in experimental images, atomistic second-principles studies suggest that they may become spontaneously mobile upon heating, with the polar order {\sl melting} in a liquid-like fashion. Here we run molecular dynamics simulations of model systems (PbTiO$_3$/SrTiO$_3$ superlattices) to study the unique features of this transformation. Most notably, we find that the multidomain state looses its translational and orientational orders at different temperatures, resembling the behavior of liquid crystals and yielding an intermediate hexatic-like phase. Our simulations reveal the mechanism responsible for the melting and allow us to characterize the stochastic dynamics in the hexatic-like phase: we find evidence that it is thermally activated, with domain reorientation rates that grow from tens of gigahertzs to terahertzs in a narrow temperature window. |
| title | Liquid-crystal-like dynamic transition in ferroelectric/dielectric superlattices |
| topic | Materials Science |
| url | https://arxiv.org/abs/2401.13026 |