Mesoscopic theory of defect ordering–disordering transitions in thin oxide films

Abstract Ordering of mobile defects in functional materials can give rise to fundamentally new phases possessing ferroic and multiferroic functionalities. Here we develop the Landau theory for strain induced ordering of defects (e.g. oxygen vacancies) in thin oxide films, considering both the orderi...

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Main Authors:	Anna N. Morozovska, Eugene A. Eliseev, Dmitry V. Karpinsky, Maxim V. Silibin, Rama Vasudevan, Sergei V. Kalinin, Yuri A. Genenko
Format:	Article
Language:	English
Published:	Nature Publishing Group 2020-12-01
Series:	Scientific Reports
Online Access:	https://doi.org/10.1038/s41598-020-79482-w

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spelling	doaj-f1b5c30bedfe4f849017d4fa6ed493112020-12-27T12:17:51ZengNature Publishing GroupScientific Reports2045-23222020-12-0110111310.1038/s41598-020-79482-wMesoscopic theory of defect ordering–disordering transitions in thin oxide filmsAnna N. Morozovska0Eugene A. Eliseev1Dmitry V. Karpinsky2Maxim V. Silibin3Rama Vasudevan4Sergei V. Kalinin5Yuri A. Genenko6Institute of Physics, National Academy of Sciences of UkraineInstitute for Problems of Materials Science, National Academy of Sciences of UkraineScientific-Practical Materials Research Centre of NAS of BelarusNational Research University of Electronic Technology “MIET”The Center for Nanophase Materials Sciences, Oak Ridge National LaboratoryThe Center for Nanophase Materials Sciences, Oak Ridge National LaboratoryInstitute of Materials Science, Technische Universität DarmstadtAbstract Ordering of mobile defects in functional materials can give rise to fundamentally new phases possessing ferroic and multiferroic functionalities. Here we develop the Landau theory for strain induced ordering of defects (e.g. oxygen vacancies) in thin oxide films, considering both the ordering and wavelength of possible instabilities. Using derived analytical expressions for the energies of various defect-ordered states, we calculated and analyzed phase diagrams dependence on the film-substrate mismatch strain, concentration of defects, and Vegard coefficients. Obtained results open possibilities to create and control superstructures of ordered defects in thin oxide films by selecting the appropriate substrate and defect concentration.https://doi.org/10.1038/s41598-020-79482-w
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Anna N. Morozovska Eugene A. Eliseev Dmitry V. Karpinsky Maxim V. Silibin Rama Vasudevan Sergei V. Kalinin Yuri A. Genenko
spellingShingle	Anna N. Morozovska Eugene A. Eliseev Dmitry V. Karpinsky Maxim V. Silibin Rama Vasudevan Sergei V. Kalinin Yuri A. Genenko Mesoscopic theory of defect ordering–disordering transitions in thin oxide films Scientific Reports
author_facet	Anna N. Morozovska Eugene A. Eliseev Dmitry V. Karpinsky Maxim V. Silibin Rama Vasudevan Sergei V. Kalinin Yuri A. Genenko
author_sort	Anna N. Morozovska
title	Mesoscopic theory of defect ordering–disordering transitions in thin oxide films
title_short	Mesoscopic theory of defect ordering–disordering transitions in thin oxide films
title_full	Mesoscopic theory of defect ordering–disordering transitions in thin oxide films
title_fullStr	Mesoscopic theory of defect ordering–disordering transitions in thin oxide films
title_full_unstemmed	Mesoscopic theory of defect ordering–disordering transitions in thin oxide films
title_sort	mesoscopic theory of defect ordering–disordering transitions in thin oxide films
publisher	Nature Publishing Group
series	Scientific Reports
issn	2045-2322
publishDate	2020-12-01
description	Abstract Ordering of mobile defects in functional materials can give rise to fundamentally new phases possessing ferroic and multiferroic functionalities. Here we develop the Landau theory for strain induced ordering of defects (e.g. oxygen vacancies) in thin oxide films, considering both the ordering and wavelength of possible instabilities. Using derived analytical expressions for the energies of various defect-ordered states, we calculated and analyzed phase diagrams dependence on the film-substrate mismatch strain, concentration of defects, and Vegard coefficients. Obtained results open possibilities to create and control superstructures of ordered defects in thin oxide films by selecting the appropriate substrate and defect concentration.
url	https://doi.org/10.1038/s41598-020-79482-w
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Mesoscopic theory of defect ordering–disordering transitions in thin oxide films

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