ISIS Neutron and Muon Source Data Journal

Atomistic modeling of temperature-driven structural alterations in a ferroelectric solid solution with a reduced Pb content

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 reduced Pb-content ferroelectric system (1-x)PbTiO3 -xBi(Mg1/2Ti1/2)O3, which was first reported in 2004 as a promising high-temperature (Tc ~ 700 K) piezoelectric material, through studying their pair distribution function at ambient and non-ambient temperature with a view to establish categorically the behavior of each cation or a preferred chemical order that impacts the properties of the system. We propose to use GEM for this study, which is a dedicated PDF beamline.

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

DOI: 10.5286/ISIS.E.RB1620364

ISIS Experiment Number: RB1620364

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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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; (2016): Atomistic modeling of temperature-driven structural alterations in a ferroelectric solid solution with a reduced Pb content, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620364

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