Zig-zag charged domain walls in ferroelectric PbTiO$_3$

Anton\'in Kl\'i\v{c}; Jirka Hlinka; Marek Pa\'sciak; Martin Ple\v{s}inger; Mauro A.P. Gon\c{c}alves; Pavel Marton; Sabine K\"orbel; V\v{e}nceslav Chumchal

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Zig-zag charged domain walls in ferroelectric PbTiO$_3$

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arxiv 2211.04828 v1 pith:3TNEVT7A submitted 2022-11-09 cond-mat.mtrl-sci

Pavel Marton , Mauro A.P. Gonçalves , Marek Paściak , Sabine Körbel , Věnceslav Chumchal , Martin Plešinger , Antonín Klíč , Jirka Hlinka This is my paper · ORCID

classification cond-mat.mtrl-sci

keywords domainchargedferroelectricpbtiosimulationswallszig-zagatomistic

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abstract

We report a theoretical investigation of a charged 180$^\circ$ domain wall in ferroelectric PbTiO$_3$, compensated by randomly distributed immobile charge defects. For this we utilize atomistic shell-model simulations and continuous phase-field simulations in the framework of the Ginzburg-Landau-Devonshire model. We predict that domain walls form a zig-zag pattern and we discuss its properties in a broad interval of compensation-region widths, ranging from a couple to over a hundred nanometers.

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