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Composition-dependent structural and polar properties of epitaxialshort-period CaTiO_3/SrTiO_3/BaTiO_3 superlattices grown on a SrTiO_3 substrateare investigated with first-principles density-functional theory computationaltechniques. Polarization enhancement with respect to bulk tetragonal BaTiO_3 isfound for two- and three-component superlattices with a BaTiO_3 concentrationof more than 30%. Individual BaTiO_3 layer thickness is identified as animportant factor governing the polarization improvement. In addition, thedegree of inversion-symmetry breaking in three-component superlattices can becontrolled by varying the thicknesses of the component layers. The flexibilityallowed within this large family of structures makes them highly suitable forvarious applications in modern nano-electro-mechanical devices.

Polarization enhancement in two- and three-component ferroelectric superlattices