Properties of epitaxial films made of relaxor ferroelectrics

Finite-temperature properties of epitaxial films made of Ba(Zr,Ti)O3 relaxor ferroelectrics are determined as a function of misfit strain, via the use of a first-principles-based effective Hamiltonian. These films are macroscopically paraelectric at any temperature, for any strain ranging between ≃-3% and ≃+3%. However, original temperature-versus-misfit strain phase diagrams are obtained for the Burns temperature (Tb) and for the critical temperatures (Tm,z and Tm,IP) at which the out-of-plane and in-plane dielectric response peak, respectively, which allow the identification of three different regions. These latter differ from their evolution of Tb, Tm,z, and/or Tm,IP with strain, which are the fingerprints of a remarkable strain-induced microscopic change: each of these regions is associated with its own characteristic behavior of polar nanoregions at low temperature, such as strain-induced rotation or strain-driven elongation of their dipoles or even increase in the average size of the polar nanoregions when the strength of the strain grows.