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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. (Publisher's Version)
In: Scientific Reports, 10, Springer Nature, e-ISSN 2045-2322,
DOI: 10.26083/tuprints-00021109,
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Item Type: Article
Origin: Secondary publication via sponsored Golden Open Access
Status: Publisher's Version
Title: Mesoscopic theory of defect ordering–disordering transitions in thin oxide films
Language: English
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.

Journal or Publication Title: Scientific Reports
Volume of the journal: 10
Publisher: Springer Nature
Collation: 13 Seiten
Classification DDC: 600 Technik, Medizin, angewandte Wissenschaften > 600 Technik
600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften
Divisions: 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: 14 Apr 2022 12:10
DOI: 10.26083/tuprints-00021109
Corresponding Links:
URN: urn:nbn:de:tuda-tuprints-211092
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/21109
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