Zigzag charged domain walls in ferroelectric PbTiO3

被引：6

作者：

Marton, Pavel ^{[1
,2
]}

Goncalves, Mauro A. P. ^{[1
]}

Pasciak, Marek ^{[1
]}

Koerbel, Sabine ^{[1
,3
]}

Chumchal, Venceslav ^{[4
]}

Plesinger, Martin ^{[4
]}

Klic, Antonin ^{[1
]}

Hlinka, Jirka ^{[1
]}

机构：

[1] Czech Acad Sci, Inst Phys, Slovance 2, Prague 18200 8, Czech Republic

[2] Tech Univ Liberec, Inst Mechatron & Comp Engn, Studentska 2, Liberec 46117, Czech Republic

[3] Friedrich Schiller Univ Jena, Inst Condensed Matter Theory & Solid State Opt, Max Wien Pl 1, D-07743 Jena, Germany

[4] Tech Univ Liberec, Dept Math & Didact Math, Studentska 2, Liberec 46117, Czech Republic

来源：

PHYSICAL REVIEW B | 2023年 / 107卷 / 09期

关键词：

Ferroelectric materials - Ferroelectricity - Lead titanate;

D O I：

10.1103/PhysRevB.107.094102

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report a theoretical investigation of a charged 180 degrees 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.

引用

页数：9

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