Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180${}^{\circ }$ domain walls

Abstract

While electrical compatibility constraints normally prevent head-to-head (HH) and tail-to-tail (TT) domain walls from forming in ferroelectric materials, we propose that such domain walls could be stabilized by intentional growth of atomic layers in which the cations are substituted from a neighboring column of the periodic table. In particular, we carry out predictive first-principles calculations of superlattices in which Sc, Nb, or other substitutional layers are inserted periodically into PbTiO${}_3$. We confirm that this gives rise to a domain structure with the longitudinal component of the polarization alternating from domain to domain, and with the substitutional layers serving as HH and TT domain walls. We also find that a substantial transverse component of the polarization can also be present.

5 pages, 4 figures

References in corpus (1)

• First-principles study of symmetry lowering in relaxed BaTiO3/SrTiO3 superlattices

Cited by in corpus (9)

• Conduction of topologically-protected charged ferroelectric domain walls
• "Head-to-head" and "tail-to-tail" 180-degree domain walls in an isolated ferroelectric
• Domain walls in a perovskite oxide with two primary structural order parameters: first-principles study of BiFeO${}_3$
• Theoretical investigation of polarization-compensated II-IV/I-V perovskite superlattices
• First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180${}^{\circ }$ domain walls in PbTiO${}_3$ ferroelectric thin films
• Stable Charged Antiparallel Domain Walls in Hyperferroelectrics
• Strain-gradient-induced switching of nanoscale domains in free-standing ultrathin films
• Zig-zag charged domain walls in ferroelectric PbTiO${}_3$
• Influence of space charge on domain patterns and susceptibility in a rhombohedral ferroelectric film