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Using the method of anharmonic lattice statics, we calculate the equilibriumstructure of steps on 180^o ferroelectric domain walls (DW) in PbTiO_3. Weconsider three different types of steps: i) Ti-Ti step that joins a Ti-centeredDW to a Ti-centered DW, (ii) Pb-Pb step that joins a Pb-centered DW to aPb-centered DW, and (iii) Pb-Ti step that joins a Pb-centered DW to aTi-centered DW. We show that atomic distortions due to these steps broaden a DWbut are localized, i.e., they are confined to regions with dimensions of a fewlattice spacings. We see that a step locally thickens the domain wall; thedefective domain wall is two to three times thicker than the perfect domainwall depending on the step type. We also observe that steps distort thepolarization distribution in a mixed Bloch-N\'{e}el like way; polarizationrotates out of the domain wall plane near the steps. Our calculations show thatPb-Pb steps have the lowest static energy.

Atomic Structure of Steps on 180^o Ferroelectric Domain Walls in PbTiO_3