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While electrical compatibility constraints normally prevent head-to-head (HH)and tail-to-tail (TT) domain walls from forming in ferroelectric materials, wepropose that such domain walls could be stabilized by intentional growth ofatomic layers in which the cations are substituted from a neighboring column ofthe periodic table. In particular, we carry out predictive first-principlescalculations of superlattices in which Sc, Nb, or other substitutional layersare inserted periodically into PbTiO$_3$. We confirm that this gives rise to adomain structure with the longitudinal component of the polarizationalternating from domain to domain, and with the substitutional layers servingas HH and TT domain walls. We also find that a substantial transverse componentof the polarization can also be present.Comment: 5 pages, 4 figure

Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180° domain walls