Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics

Abstract Ferroelectric materials contain domains of ordered electric dipoles, separated by domain walls, that can undergo polarisation switching under externally applied electric fields. The domain switching dynamics in ferroelectric materials plays an essential role in their application to electron...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Vishal Boddu, Florian Endres, Paul Steinmann
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/82d8f29ac68c4257b551841ed69e2e85
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:82d8f29ac68c4257b551841ed69e2e85
record_format	dspace
spelling	oai:doaj.org-article:82d8f29ac68c4257b551841ed69e2e852021-12-02T11:52:17ZMolecular dynamics study of ferroelectric domain nucleation and domain switching dynamics10.1038/s41598-017-01002-02045-2322https://doaj.org/article/82d8f29ac68c4257b551841ed69e2e852017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01002-0https://doaj.org/toc/2045-2322Abstract Ferroelectric materials contain domains of ordered electric dipoles, separated by domain walls, that can undergo polarisation switching under externally applied electric fields. The domain switching dynamics in ferroelectric materials plays an essential role in their application to electronic and electro-optic de- vices. Previous studies suggest that the switching occurs largely through domain wall motion which is explained from the viewpoint of statistical physics on surface growth as the behaviour of a pinned elas- tic interface. We perform molecular dynamics simulations to investigate the domain switching process and quantitatively estimate the switching speed of anti-parallel 180° domains in ferroelectric, tetragonal BaTiO3 perfect single crystals at room temperature using the core-shell model. We observe an unprece- dented, non-linear increase in the domain switching speed caused by the nucleation of new domains within the switching domain. We determine the strength of the electric field to evoke nucleation of new domains and show that the nucleated domains diffuse into nearby favourable domains when the electric field is removed. Furthermore, we discuss the prominence of domain nucleations during ferroelectric switching.Vishal BodduFlorian EndresPaul SteinmannNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Vishal Boddu Florian Endres Paul Steinmann Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics
description	Abstract Ferroelectric materials contain domains of ordered electric dipoles, separated by domain walls, that can undergo polarisation switching under externally applied electric fields. The domain switching dynamics in ferroelectric materials plays an essential role in their application to electronic and electro-optic de- vices. Previous studies suggest that the switching occurs largely through domain wall motion which is explained from the viewpoint of statistical physics on surface growth as the behaviour of a pinned elas- tic interface. We perform molecular dynamics simulations to investigate the domain switching process and quantitatively estimate the switching speed of anti-parallel 180° domains in ferroelectric, tetragonal BaTiO3 perfect single crystals at room temperature using the core-shell model. We observe an unprece- dented, non-linear increase in the domain switching speed caused by the nucleation of new domains within the switching domain. We determine the strength of the electric field to evoke nucleation of new domains and show that the nucleated domains diffuse into nearby favourable domains when the electric field is removed. Furthermore, we discuss the prominence of domain nucleations during ferroelectric switching.
format	article
author	Vishal Boddu Florian Endres Paul Steinmann
author_facet	Vishal Boddu Florian Endres Paul Steinmann
author_sort	Vishal Boddu
title	Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics
title_short	Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics
title_full	Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics
title_fullStr	Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics
title_full_unstemmed	Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics
title_sort	molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/82d8f29ac68c4257b551841ed69e2e85
work_keys_str_mv	AT vishalboddu moleculardynamicsstudyofferroelectricdomainnucleationanddomainswitchingdynamics AT florianendres moleculardynamicsstudyofferroelectricdomainnucleationanddomainswitchingdynamics AT paulsteinmann moleculardynamicsstudyofferroelectricdomainnucleationanddomainswitchingdynamics
_version_	1718395113732833280

Molecular dynamics study of ferroelectric domain nucleation and domain switching dynamics

Ejemplares similares