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Zigzag charged domain walls in ferroelectric PbTiO.sub.3./sub.
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SYSNO ASEP 0570980 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Zigzag charged domain walls in ferroelectric PbTiO3 Author(s) Márton, Pavel (FZU-D) RID, ORCID
Pereira Gonçalves, Mauro Antonió (FZU-D) ORCID
Pasciak, Marek (FZU-D) ORCID
Körbel, Sabine (FZU-D)
Chumchal, V. (CZ)
Plešinger, M. (CZ)
Klíč, Antonín (FZU-D) RID, ORCID
Hlinka, Jiří (FZU-D) RID, ORCIDNumber of authors 8 Article number 094102 Source Title Physical Review B. - : American Physical Society - ISSN 2469-9950
Roč. 107, č. 9 (2023)Number of pages 9 s. Language eng - English Country US - United States Keywords defect ; domain walls ; domains ; ferroelectricity ; phase-field simulations ; shell-model simulations Subject RIV BM - Solid Matter Physics ; Magnetism OECD category Condensed matter physics (including formerly solid state physics, supercond.) R&D Projects GJ20-05167Y GA ČR - Czech Science Foundation (CSF) Research Infrastructure e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob Method of publishing Limited access Institutional support FZU-D - RVO:68378271 UT WOS 000962189900007 EID SCOPUS 85150865666 DOI 10.1103/PhysRevB.107.094102 Annotation We report a theoretical investigation of a charged 180◦ domain wall in ferroelectric PbTiO3, 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 zigzag pattern and we discuss their properties in a broad interval of compensation-region widths, ranging from a couple to over 100 nm. The zigzag is accompanied by a local polarization rotation which we explain to provide an efficient mechanism for charge compensation. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2024 Electronic address http://doi.org/10.1103/PhysRevB.107.094102
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