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

Morozovska, Anna Nickolaevna ; Eliseev, Eugene A. ; Karpinsky, Dmitry V. ; Silibin, Maxim V. ; Vasudevan, Rama ; Kalinin, Sergei V. ; Genenko, Yuri A. (2022)
Mesoscopic theory of defect ordering–disordering transitions in thin oxide films.
In: Scientific Reports, 2022, 10
doi: 10.26083/tuprints-00021109
Article, Secondary publication, Publisher's Version

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.

Item Type: Article
Erschienen: 2022
Creators: Morozovska, Anna Nickolaevna ; Eliseev, Eugene A. ; Karpinsky, Dmitry V. ; Silibin, Maxim V. ; Vasudevan, Rama ; Kalinin, Sergei V. ; Genenko, Yuri A.
Type of entry: Secondary publication
Title: Mesoscopic theory of defect ordering–disordering transitions in thin oxide films
Language: English
Date: 2022
Year of primary publication: 2022
Publisher: Springer Nature
Journal or Publication Title: Scientific Reports
Volume of the journal: 10
Collation: 13 Seiten
DOI: 10.26083/tuprints-00021109
URL / URN: https://tuprints.ulb.tu-darmstadt.de/21109
Corresponding Links:
Origin: Secondary publication via sponsored Golden Open Access
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.

Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-211092
Classification DDC: 600 Technology, medicine, applied sciences > 600 Technology
600 Technology, medicine, applied sciences > 620 Engineering and machine engineering
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Date Deposited: 14 Apr 2022 12:09
Last Modified: 19 Apr 2022 05:21
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