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arXiv · 2401.13026

Liquid-crystal-like dynamic transition in ferroelectric/dielectric superlattices

Fernando Gómez-Ortiz·Mónica Graf·Javier Junquera·Jorge Íñiguez-González·Hugo Aramberri
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Abstract

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.

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Fernando Gómez-Ortiz, Mónica Graf, Javier Junquera, Jorge Íñiguez-González, Hugo Aramberri. 2024-01-23. Liquid-crystal-like dynamic transition in ferroelectric/dielectric superlattices. https://doi.org/10.1103/physrevlett.133.066801

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