ISIS Neutron and Muon Source Data Journal

Atomistic modeling of temperature-driven structural phase transition in ferroelectric solid solution

Abstract: Ferroelectric materials, mainly Pb-containing, have widespread applications in our modern-day life, primarily used as sensors, actuator and memories. However challenges still remain to understand the structure-property relations at the atomic level, which is crucial in order to develop bespoke materials with improved qualities, and to find Pb-free alternatives to avoid environmental concerns. Here we aim to investigate a couple of novel reduced Pb-content ferroelectric systems, which have been recently shown to be promising high-temperature piezoelectric materials with the so-called morphotropic phase boundary (MPB). Pair distribution functions as a function of composition at ambient and non-ambient temperature will be studied with a view to establish how the chemical variation can influence the local structure and atomic dynamics, and consequently impacts the properties of the system.

Principal Investigator: Dr Kaustuv Datta
Experimenter: Professor Boriana Mihailova
Experimenter: Ms Irina Margaritescu
Local Contact: Professor David Keen

DOI: 10.5286/ISIS.E.RB1710249

ISIS Experiment Number: RB1710249

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Kaustuv Datta et al; (2017): Atomistic modeling of temperature-driven structural phase transition in ferroelectric solid solution, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1710249

Data is released under the CC-BY-4.0 license.