Flexoelectricity and Ferroelectric Domain Wall Structures: Phase-Field Modeling and DFT Calculations
Abstract
We show that flexoelectric effect is responsible for the non-Ising character of a 180° ferroelectric domain wall. The wall, long considered being of Ising type, contains both Bloch- and Néel-type polarization components. Using the example of classic ferroelectric BaTiO3, and by incorporating the flexoelectric effect into a phase-field model, it is demonstrated that the flexoelectric effect arising from stress inhomogeneity around the domain wall leads to the additional Bloch and Néel polarization components. The magnitudes of these additional components are two or three magnitudes smaller than the Ising component, and they are determined by the competing depolarization and flexoelectric fields. Our results from phase-field model are consistent with the atomistic scale calculations. The results prove the critical role of flexoelectricity in defining the internal structure of ferroelectric domain walls.
Recommended Citation
Y. Gu et al., "Flexoelectricity and Ferroelectric Domain Wall Structures: Phase-Field Modeling and DFT Calculations," Physical Review B - Condensed Matter and Materials Physics, vol. 89, no. 17, American Physical Society (APS), May 2014.
The definitive version is available at https://doi.org/10.1103/PhysRevB.89.174111
Department(s)
Materials Science and Engineering
Keywords and Phrases
Ferroelectric materials; Ferroelectricity; Ferroelectric tunnel
International Standard Serial Number (ISSN)
1098-0121; 1550-235X
Document Type
Article - Journal
Document Version
Final Version
File Type
text
Language(s)
English
Rights
© 2014 American Physical Society (APS), All rights reserved.
Publication Date
01 May 2014
