Ferroelectric/paraelectric superlattices for energy storage

Abstract

The polarization response of antiferroelectrics to electric fields is such that the materials can store large energy densities, which makes them promising candidates for energy storage applications in pulsed-power technologies. However, relatively few materials of this kind are known.Here we consider ferroelectric/paraelectric superlattices as artificial electrostatically-engineered antiferroelectrics. Specifically, using high-throughput second-principles calculations, we engineer PbTiO3/SrTiO3 superlattices to optimize their energy-storage performance at room temperature (to maximize density and release efficiency) with respect to different design variables (layer thicknesses, epitaxial conditions, stiffness of the dielectric layer). We obtain results competitive with the state-of-the-art antiferroelectric capacitors and reveal the mechanisms responsible for the optimal properties.

Electrical Energy Storage From First Principles

“…Note also that one very recent work using high-throughput second-principles calculations (Aramberri et al, 2020) indicated that FE/paraelectric superlattices can be promising for energy storage as well. Other systems can also be investigated by first-principles-based effective Hamiltonian methods, or other ab initio techniques, in the near future for energy storage.…”