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Mechanically compatible and electrically neutral domain walls in tetragonal,orthorhombic and rhombohedral ferroelectric phases of BaTiO3 are systematicallyinvestigated in the framework of the phenomenologicalGinzburg-Landau-Devonshire (GLD) model with parameters of Ref. [Hlinka andMarton, Phys. Rev. 74, 104104 (2006)]. Polarization and strain profiles withindomain walls are calculated numerically and within an approximation leading tothe quasi-one-dimensional analytic solutions applied previously to theferroelectric walls of the tetragonal phase [W. Cao and L.E. Cross, Phys. Rev.44, 5 (1991)]. Domain wall thicknesses and energy densities are estimated forall mechanically compatible and electrically neutral domain wall species in theentire temperature range of ferroelectric phases. The model suggests that thelowest energy walls in the orthorhombic phase of BaTiO3 are the 90-degree and60-degree walls. In the rhombohedral phase, the lowest energy walls are the71-degree and 109-degree walls. All these ferroelastic walls have thicknessbelow 1 nm except for the 90-degree wall in the tetragonal phase and the60-degree S-wall in the orthorhombic phase, for which the larger thickness ofthe order of 5 nm was found. The antiparallel walls of the rhombohedral phasehave largest energy and thus they are unlikely to occur. The calculationindicates that the lowest energy structure of the 109-degree wall and few otherdomain walls in the orthorhombic and rhombohedral phases resemble Bloch-likewalls known from magnetism.

Domain walls of ferroelectric BaTiO3 within the Ginzburg-Landau-Devonshire phenomenological model