Energy storage properties of ferroelectric nanocomposites (2305.14099v1)

Abstract: An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO${3}$ nanowires embedded in a SrTiO${3}$ matrix, for electric field applied along the long axis of the nanowires. We find that the energy density \textit{versus} temperature curve adopts a nonlinear, mostly temperature-independent response when the system exhibits phases possessing an out-of-plane polarization and vortices while the energy density more linearly increases with temperature when the nanocomposite either only possesses vortices (and thus no spontaneous polarization) or is in a paraelectric and paratoroidic phase for its equilibrium state. Ultrahigh energy density up to $\simeq$140 J/cm$^{3}$ and an ideal 100% efficiency are also predicted in this nanocomposite. A phenomenological model, involving a coupling between polarization and toroidal moment, is further proposed to interpret these energy density results.