0462279 - FZÚ 2017 RIV GB eng J - Journal Article
Wang, D. - Bokov, A.A. - Ye, Z. -G. - Hlinka, Jiří - Bellaiche, L.
Subterahertz dielectric relaxation in lead-free Ba(Zr,Ti)O₃ relaxor ferroelectrics.
Nature Communications. Roč. 7, Apr. (2016), 1-7, č. článku 11014. ISSN 2041-1723. E-ISSN 2041-1723
R&D Projects: GA ČR GA15-04121S
Institutional support: RVO:68378271
Keywords : relaxors * dielectric relaxation * Vogel-Fulcher law
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 12.124, year: 2016
DOI: https://doi.org/10.1038/ncomms11014

We report first-principles-based molecular dynamic simulations of lead-free Ba(Zr0.5 Ti0.5)O3, which allows us to obtain its subterahertz dynamics. This approach reproduces the striking characteristics of relaxors including the dielectric relaxation, the constant-loss bahaviour, the diffuse maximum in the temperature dependence of susceptibility, the substantial widening of dielectric spectrum on cooling and the resulting Vogel-Fulcher law.

Permanent Link: http://hdl.handle.net/11104/0261751