Zigzag charged domain walls in ferroelectric PbTiO.sub.3./sub.

0570980 - FZÚ 2024 RIV US eng J - Journal Article
Márton, Pavel - Pereira Gonçalves, Mauro Antonió - Pasciak, Marek - Körbel, Sabine - Chumchal, V. - Plešinger, M. - Klíč, Antonín - Hlinka, Jiří
Zigzag charged domain walls in ferroelectric PbTiO₃.
Physical Review B. Roč. 107, č. 9 (2023), č. článku 094102. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA ČR(CZ) GJ20-05167Y
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:68378271
Keywords : defect * domain walls * domains * ferroelectricity * phase-field simulations * shell-model simulations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.7, year: 2022
Method of publishing: Limited access
http://doi.org/10.1103/PhysRevB.107.094102

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.
Permanent Link: https://hdl.handle.net/11104/0342309