Phase-field modeling and electronic structural analysis of flexoelectric effect at 180° domain walls in ferroelectric PbTiO3

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Atomic structure of steps on 180° ferroelectric domain walls in PbTiO3

Using the method of anharmonic lattice statics, we calculate the equilibrium structure of steps on 180° ferroelectric domain walls DWs in PbTiO3. We consider three different types of steps: i Ti–Ti step that joins a Ti-centered DW to a Ti-centered DW, ii Pb–Pb step that joins a Pb-centered DW to a Pb-centered DW, and iii Pb–Ti step that joins a Pb-centered DW to a Ti-centered DW. We show that a...

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ژورنال

عنوان ژورنال: Journal of Applied Physics

سال: 2017

ISSN: 0021-8979,1089-7550

DOI: 10.1063/1.5017219