Subterahertz dielectric relaxation in lead-free Ba(Zr,Ti)O3 relaxor ferroelectrics.

ABSTRACT: Relaxors are complex materials with unusual properties that have been puzzling the scientific community since their discovery. The main characteristic of relaxors, that is, their dielectric relaxation, remains unclear and is still under debate. The difficulty to conduct measurements at frequencies ranging from ≃1 GHz to ≃1 THz and the challenge of developing models to capture their complex dynamical responses are among the reasons for such a situation. Here, we report first-principles-based molecular dynamic simulations of lead-free Ba(Zr0.5Ti0.5)O3, which allows us to obtain its subterahertz dynamics. This approach reproduces the striking characteristics of relaxors including the dielectric relaxation, the constant-loss behaviour, the diffuse maximum in the temperature dependence of susce

SUBMITTER: Wang D 

PROVIDER: S-EPMC4822000 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature