Domain walls of ferroelectric BaTiO 3 within the Ginzburg-Landau-Devonshire phenomenological model
By P. Marton, I. Rychetský, J. Hlinka. 2010
214 citations recorded by the source corpus.
Mechanically compatible and electrically neutral domain walls in tetragonal, orthorhombic, and rhombohedral ferroelectric phases of ${\text{BaTiO}}_{3}$ are systematically investigated in the framework of the phenomenological Ginzburg-Landau-Devonshire model with parameters of J. Hlinka and P. Marton, Phys. Rev. B 74, 104104 (2006). Polarization and strain profiles within domain walls are calculated numerically and within an approximation leading to the quasi-one-dimensional analytic solutions applied previously to the ferroelectric walls of the tetragonal phase [W. Cao and L. E. Cross, Phys. Rev. B 44, 5 (1991)]. Domain-wall thicknesses and energy densities are estimated for all mechanically compatible and electrically neutral domain-wall species in the entire temperature range of ferroelectric phases. The model suggests that the lowest-energy walls in the orthorhombic phase of ${\text{BaTiO}}_{3}$ are the $90\ifmmode^\circ\else\textdegree\fi{}$ and $60\ifmmode^\circ\else\textdegree\fi{}$ walls. In the rhombohedral phase, the lowest-energy walls are the $71\ifmmode^\circ\else\textdegree\fi{}$ and $109\ifmmode^\circ\else\textdegree\fi{}$ walls. All these ferroelastic walls have thickness below 1 nm except for the $90\ifmmode^\circ\else\textdegree\fi{}$ wall in the tetragonal phase and the $60\ifmmode^\circ\else\textdegree\fi{}$ $S$ wall in the orthorhombic phase, for which the larger thickness on the order of 5 nm was found. The antiparallel walls of the rhombohedral phase have largest energy and thus they are unlikely to occur. The calculation indicates that the lowest-energy structure of the $109\ifmmode^\circ\else\textdegree\fi{}$ wall and few other domain walls in the orthorhombic and rhombohedral phases resemble Bloch walls known from magnetism.
Subfields: Biomedical Engineering, Materials Chemistry, Ocean Engineering
View Paper: https://www.semanticscholar.org/paper/f5dab260fa3dbc3dd3f47857785e751c207d2cfe
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Citations in the corpus
- Domain wall nanoelectronics (2012, background): “This common assumption, however, has recently been challenged by Lee et al. (2009) and Marton, Rychetsky, and Hlinka (2010), who show that ferroelectric 180 domain walls of perovskite ferroelectrics can be at least partially chiral.”
- Piezoresponse force microscopy (PFM) (2011, background): “Two adjacent domains are separated by a domain wall, also referred to as domain boundary, whose precise nature is still under discussion [50, 51].”