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
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
收藏
页数:9
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