Comprehensive determination of the high-pressure structural behaviour of BaTiO3

Craig L Bull; Christopher J Ridley; Kevin S Knight; Nicholas P Funnell; Alexandra S. Gibbs

doi:10.1039/d1ma00651g

Comprehensive determination of the high-pressure structural behaviour of BaTiO₃

Craig L Bull, Christopher J Ridley, Kevin S Knight, Nicholas P Funnell, Alexandra S. Gibbs

Research output: Contribution to journal › Article › peer-review

Abstract

We have mapped the phase diagram of BaTiO₃ more extensively than previous attempts using high-pressure neutron-powder diffraction. The mapping of the phase diagram has been performed using isothermal compression at fixed temperatures (175, 225, 290, 480 K) within each of the known crystallographic phases, up to ∼6 GPa using a large volume press. The crystallographic structure of each phase has been measured, and the determined absolute atomic displacements of all atoms within the cell have provided detailed information on the order of the phase transitions observed, and the behaviour of the ferroelectric dipole moment.

Original language	English
Number of pages	10
Journal	Materials Advances
Volume	Advance Article
Early online date	17 Aug 2021
DOIs	https://doi.org/10.1039/d1ma00651g
Publication status	E-pub ahead of print - 17 Aug 2021

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10.1039/d1ma00651gLicence: CC BY-NC

Bull_2021_Mat-Adv_Comprehensive-determination_CC
Copyright © 2021 The Author(s). Published by the Royal Society of Chemistry. Open Access. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
Final published version, 3.8 MBLicence: CC BY-NC

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abstract = "We have mapped the phase diagram of BaTiO3 more extensively than previous attempts using high-pressure neutron-powder diffraction. The mapping of the phase diagram has been performed using isothermal compression at fixed temperatures (175, 225, 290, 480 K) within each of the known crystallographic phases, up to ∼6 GPa using a large volume press. The crystallographic structure of each phase has been measured, and the determined absolute atomic displacements of all atoms within the cell have provided detailed information on the order of the phase transitions observed, and the behaviour of the ferroelectric dipole moment.",

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AU - Bull, Craig L

AU - Ridley, Christopher J

AU - Knight, Kevin S

AU - Funnell, Nicholas P

AU - Gibbs, Alexandra S.

PY - 2021/8/17

Y1 - 2021/8/17

N2 - We have mapped the phase diagram of BaTiO3 more extensively than previous attempts using high-pressure neutron-powder diffraction. The mapping of the phase diagram has been performed using isothermal compression at fixed temperatures (175, 225, 290, 480 K) within each of the known crystallographic phases, up to ∼6 GPa using a large volume press. The crystallographic structure of each phase has been measured, and the determined absolute atomic displacements of all atoms within the cell have provided detailed information on the order of the phase transitions observed, and the behaviour of the ferroelectric dipole moment.

AB - We have mapped the phase diagram of BaTiO3 more extensively than previous attempts using high-pressure neutron-powder diffraction. The mapping of the phase diagram has been performed using isothermal compression at fixed temperatures (175, 225, 290, 480 K) within each of the known crystallographic phases, up to ∼6 GPa using a large volume press. The crystallographic structure of each phase has been measured, and the determined absolute atomic displacements of all atoms within the cell have provided detailed information on the order of the phase transitions observed, and the behaviour of the ferroelectric dipole moment.

U2 - 10.1039/d1ma00651g

DO - 10.1039/d1ma00651g

M3 - Article

SN - 2633-5409

VL - Advance Article

JO - Materials Advances

JF - Materials Advances

ER -

Comprehensive determination of the high-pressure structural behaviour of BaTiO3

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Comprehensive determination of the high-pressure structural behaviour of BaTiO₃