%0 Journal Article %1 lee2009mixed %A Lee, Donghwa %A Behera, Rakesh K %A Wu, Pingping %A Xu, Haixuan %A Li, YL %A Sinnott, Susan B %A Phillpot, Simon R %A Chen, LQ %A Gopalan, Venkatraman %A others, %D 2009 %I APS %J Physical Review B %K domain_walls ferroelectric-photovoltaics theory %N 6 %P 060102 %T Mixed Bloch-Néel-Ising character of 180 ferroelectric domain walls %V 80 %X 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.

@article{lee2009mixed, abstract = {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.}, added-at = {2018-08-19T23:34:45.000+0200}, author = {Lee, Donghwa and Behera, Rakesh K and Wu, Pingping and Xu, Haixuan and Li, YL and Sinnott, Susan B and Phillpot, Simon R and Chen, LQ and Gopalan, Venkatraman and others}, biburl = {https://www.bibsonomy.org/bibtex/27d784e8a8ce20757657a084a3116acd5/skoerbel}, interhash = {bf3025d1bea24547baadbc7729b71b21}, intrahash = {7d784e8a8ce20757657a084a3116acd5}, journal = {Physical Review B}, keywords = {domain_walls ferroelectric-photovoltaics theory}, number = 6, pages = 060102, publisher = {APS}, timestamp = {2018-08-19T23:36:05.000+0200}, title = {Mixed Bloch-N{\'e}el-Ising character of 180 ferroelectric domain walls}, volume = 80, year = 2009 }