Dielectric response of BaZrO₃/BaTiO₃ superlattice

Abstract

We use the first-principles-based molecular dynamic approach to simulate dipolar dynamics of BaZrO 3 /BaTiO 3 superlattice, and obtain its dielectric response. The dielectric response is decomposed into its compositional, as well as the in-plane and out-of-plane parts, which are then discussed in the context of chemical ordering of Zr/Ti ions. We reveal that, while the in-plane dielectric response of BaZrO 3 /BaTiO 3 superlattice also shows dispersion over probing frequency, it shall not be categorized as relaxor.

Insights into the dielectric response of ferroelectric relaxors from statistical modeling

“…In addition, PMN possesses the electric field arising from heterovalent Mg and Nb ions, which affects dipole distribution. It is important to further note that well known relaxors can become non-relaxor if their ions are perfectly ordered [32][33][34] .…”

Broadband Dielectric, Terahertz, and Infrared Spectroscopy of BaTiO3–BaZrO3 Solid Solution: From Proper Ferroelectric over Diffuse and Relaxor Ferroelectrics and Dipolar Glass to Normal Dielectric

“…[ 15 ] However, more recently several new aspects on the physics of BZT and understanding of its dielectric properties appeared in the literature, which we would like to briefly review and discuss here. It concerns its high‐frequency dielectric properties including MW, THz, and IR properties [ 7,16–18 ] and their first‐principles and molecular dynamics analysis, [ 19–29 ] nonlinear dielectric properties, [ 30 ] comparison with lead‐containing relaxors, [ 31,32 ] and dipolar glasses, [ 33–35 ] more detailed analysis of the close‐to‐BT compositions (0 ≤ x ≤ 0.2), [ 36–50 ] of pure BZ, [ 6,51 ] variously doped BZT, more suitable for potential applications, [ 26,52–57 ] processing and properties of nanograin BZT ceramics, [ 58–62 ] BT–BZ superlattices [ 63,64 ] and new applications of BZT as giant electrocaloric materials [ 65–67 ] and, in the thin‐film form, as energy storage materials. [ 68 ]…”