Anharmonicity-induced phonon hardening and phonon transport enhancement in crystalline perovskite

J Zheng, D Shi, Y Yang, C Lin, H Huang, R Guo… - Physical Review B, 2022 - APS
We investigated the effects of cubic and quartic anharmonicity on lattice dynamics and
thermal transport in highly anharmonic BaZrO 3 crystal over a wide temperature range (300 …

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

J Petzelt, V Bovtun, D Nuzhnyy, M Kempa… - … status solidi (b), 2021 - Wiley Online Library
Herein, the properties of broadband dielectric spectra up to THz–infrared range of the (1− x)
BaTiO3‐xBaZrO3 (BZT‐x) solid solution are reviewed and complemented. This includes the …

Relaxor ferroelectricity and electric-field-driven structural transformation in the giant lead-free piezoelectric

K Brajesh, K Tanwar, M Abebe, R Ranjan - Physical Review B, 2015 - APS
There is great interest in lead-free (B a 0.85 C a 0.15)(T i 0.90 Z r 0.10) O 3 (15/10BCTZ)
because of its exceptionally large piezoelectric response [Liu and Ren, Phys. Rev. Lett. 103 …

Multiple soft-mode vibrations of lead zirconate

J Hlinka, T Ostapchuk, E Buixaderas, C Kadlec… - Physical Review Letters, 2014 - APS
Polarized Raman, IR, and time-domain THz spectroscopy of orthorhombic lead zirconate
single crystals have yielded a comprehensive picture of temperature-dependent …

Field-induced percolation of polar nanoregions in relaxor ferroelectrics

S Prosandeev, D Wang, AR Akbarzadeh, B Dkhil… - Physical review …, 2013 - APS
A first-principles-based effective Hamiltonian is used to investigate low-temperature
properties of Ba (Zr, Ti) O 3 relaxor ferroelectrics under an increasing dc electric field. This …

Understanding Correlations in BaZrO3: Structure and Dynamics on the Nanoscale

E Fransson, P Rosander, P Erhart… - Chemistry of …, 2023 - ACS Publications
Barium zirconate (BaZrO3) is one of few perovskites that is claimed to retain an average
cubic structure down to 0 K at ambient pressure while being energetically very close to a …

Revisiting eigen displacements of tetragonal BaTiO3: Combined first principle and experimental investigation

V Dwij, BK De, G Sharma, DK Shukla, MK Gupta… - Physica B: Condensed …, 2022 - Elsevier
BaTiO 3 is a classical ferroelectric studied for last one century for its ferroelectric properties.
Lattice dynamics of BaTiO 3 is crucial as the utility of devices is governed by phonons. In this …

Structural transformations in morphotropic-phase-boundary composition of the lead-free piezoelectric system Ba (T i 0.8 Z r 0.2) O 3−(B a 0.7 C a 0.3) Ti O 3

K Brajesh, M Abebe, R Ranjan - Physical Review B, 2016 - APS
The exceptionally large piezoelectric response of the morphotropic-phase-boundary (MPB)
composition of the lead-free piezoelectric system (1− x) Ba (T i 0.8 Z r 0.2) O 3− x (B a 0.7 C …

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

D Wang, AA Bokov, ZG Ye, J Hlinka… - Nature communications, 2016 - nature.com
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 …

First-principles-based effective Hamiltonian simulations of bulks and films made of lead-free Ba (Zr, Ti) O3 relaxor ferroelectrics

S Prosandeev, D Wang, AR Akbarzadeh… - Journal of Physics …, 2015 - iopscience.iop.org
A review of the recent development and application of a first-principles-derived effective
Hamiltonian technique to the study of lead-free Ba (Zr, Ti) O 3 (BZT) relaxor ferroelectrics is …