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

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.84777612
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/84777612
Provenance
Creator Dr Kaustuv Datta; Professor Boriana Mihailova; Ms Irina Margaritescu; Professor David Keen
Publisher ISIS Neutron and Muon Source
Publication Year 2020
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2017-03-13T08:00:00Z
Temporal Coverage End 2017-03-19T08:00:00Z