论文标题

铁电PBTIO $ _3 $中的Zig-Zag充电域墙

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

论文作者

Marton, Pavel, Gonçalves, Mauro A. P., Paściak, Marek, Körbel, Sabine, Chumchal, Věnceslav, Plešinger, Martin, Klíč, Antonín, Hlinka, Jirka

论文摘要

我们报告了对铁电PBTIO $ _3 $的收费180 $^\ Circ $域墙的理论调查,并由随机分布的固定电荷缺陷进行了补偿。为此,我们利用了金茨堡 - Landau-Devonshire模型的框架中的原子壳模模仿真和连续的相位模拟。我们预测域壁形成一个曲折的模式,并以宽阔的补偿区域宽度的广泛间隔讨论其特性,范围从一对到一百多纳米。

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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