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,
[Article]
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. |
| 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 |
| 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 |
| DOI: | 10.26083/tuprints-00021109 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/21109 |
| URN: | urn:nbn:de:tuda-tuprints-211092 |
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| Corresponding Links: | |
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