Mixed Bloch-Néel-Ising character of 180°ferroelectric domain walls

Donghwa Lee, Rakesh K. Behera, Pingping Wu, Haixuan Xu, Susan B. Sinnott, Simon R. Phillpot, L. Q. Chen, Venkatraman Gopalan

Research output: Contribution to journalArticlepeer-review

158 Scopus citations


Ferroelectric 180°domain walls are well-known to be predominantly Ising-like. Using density functional theory, and molecular dynamics simulations, the 180°domain walls in prototypical ferroelectrics lead titanate (PbTiO3) and lithium niobate (LiNbO3) are shown to have mixed character; while predominantly Ising-like, they also manifest some Bloch- and Néel-like character. Phase-field calculations show that such mixed wall character can be dramatically enhanced in nanoscale thin film heterostructures such as BaTiO3 / SrTiO3, where the internal wall structure can form polarization vortices. Such mixed character walls can be expected to exhibit dynamical wall properties distinct from pure Ising walls.

Original languageEnglish (US)
Article number060102
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number6
StatePublished - Aug 12 2009

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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