Dynamics of antipolar distortions

Antipolar distortions: ferroelectric-related phases evolve dynamically with temperature Temperature dependent structural dynamics in pressurized BiFeO3 are simulated and analyzed for ferroelectric-related phases. Kinnary Patel and coworkers from the University of Arkansas in US and Southern Federal...

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Autores principales:	Kinnary Patel, Sergey Prosandeev, Laurent Bellaiche
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/2b70c4ea451f440891c5045ad60ac865
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id	oai:doaj.org-article:2b70c4ea451f440891c5045ad60ac865
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spelling	oai:doaj.org-article:2b70c4ea451f440891c5045ad60ac8652021-12-02T11:51:10ZDynamics of antipolar distortions10.1038/s41524-017-0033-z2057-3960https://doaj.org/article/2b70c4ea451f440891c5045ad60ac8652017-08-01T00:00:00Zhttps://doi.org/10.1038/s41524-017-0033-zhttps://doaj.org/toc/2057-3960Antipolar distortions: ferroelectric-related phases evolve dynamically with temperature Temperature dependent structural dynamics in pressurized BiFeO3 are simulated and analyzed for ferroelectric-related phases. Kinnary Patel and coworkers from the University of Arkansas in US and Southern Federal University in Russia performed atomistic simulations on the dynamics of antipolar distortions, which are cation distortions against ferroelectric polarization, with respect to temperature in BiFeO3 under hydrostatic pressure. The material undergoes a paraelectric phase, an intermediate phase with long-range-ordered FeO6 octahedral tilting and a motion-mixed phase with both antipolar distortion and FeO6 octahedral tilting upon cooling. In paraelectric phase, the antipolar distortions always have high frequencies independent of temperature while they become soft with low frequencies in the intermediate and the motion-mixed phases. These results can be applied to predict dynamics of antipolar motions on the phase evolutions for other materials with similar crystal structures.Kinnary PatelSergey ProsandeevLaurent BellaicheNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 3, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Kinnary Patel Sergey Prosandeev Laurent Bellaiche Dynamics of antipolar distortions
description	Antipolar distortions: ferroelectric-related phases evolve dynamically with temperature Temperature dependent structural dynamics in pressurized BiFeO3 are simulated and analyzed for ferroelectric-related phases. Kinnary Patel and coworkers from the University of Arkansas in US and Southern Federal University in Russia performed atomistic simulations on the dynamics of antipolar distortions, which are cation distortions against ferroelectric polarization, with respect to temperature in BiFeO3 under hydrostatic pressure. The material undergoes a paraelectric phase, an intermediate phase with long-range-ordered FeO6 octahedral tilting and a motion-mixed phase with both antipolar distortion and FeO6 octahedral tilting upon cooling. In paraelectric phase, the antipolar distortions always have high frequencies independent of temperature while they become soft with low frequencies in the intermediate and the motion-mixed phases. These results can be applied to predict dynamics of antipolar motions on the phase evolutions for other materials with similar crystal structures.
format	article
author	Kinnary Patel Sergey Prosandeev Laurent Bellaiche
author_facet	Kinnary Patel Sergey Prosandeev Laurent Bellaiche
author_sort	Kinnary Patel
title	Dynamics of antipolar distortions
title_short	Dynamics of antipolar distortions
title_full	Dynamics of antipolar distortions
title_fullStr	Dynamics of antipolar distortions
title_full_unstemmed	Dynamics of antipolar distortions
title_sort	dynamics of antipolar distortions
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/2b70c4ea451f440891c5045ad60ac865
work_keys_str_mv	AT kinnarypatel dynamicsofantipolardistortions AT sergeyprosandeev dynamicsofantipolardistortions AT laurentbellaiche dynamicsofantipolardistortions
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Dynamics of antipolar distortions

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