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The electronic properties of SrTiO.sub.3-δ./sub. with oxygen vacancies or substitutions
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SYSNO ASEP 0561024 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title The electronic properties of SrTiO3-δ with oxygen vacancies or substitutions Author(s) Rusevich, L.L. (LT)
Tyunina, Marina (FZU-D) ORCID
Kotomin, E.A. (LT)
Nepomniashchaia, Natalia (FZU-D) ORCID
Dejneka, Alexandr (FZU-D) RID, ORCIDNumber of authors 5 Article number 23341 Source Title Scientific Reports. - : Nature Publishing Group - ISSN 2045-2322
Roč. 11, č. 1 (2021)Number of pages 8 s. Language eng - English Country GB - United Kingdom Keywords electronic properties ; including bandgap conductivity ; multifunctional ; perovskite oxide ; ferroelectics Subject RIV BM - Solid Matter Physics ; Magnetism OECD category Condensed matter physics (including formerly solid state physics, supercond.) R&D Projects GA19-09671S GA ČR - Czech Science Foundation (CSF) EF16_019/0000760 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support FZU-D - RVO:68378271 UT WOS 000728529200065 EID SCOPUS 85120874891 DOI 10.1038/s41598-021-02751-9 Annotation The electronic properties, including bandgap and conductivity, are critical for nearly all applications of multifunctional perovskite oxide ferroelectrics. Here we analysed possibility to induce semiconductor behaviour in these materials, which are basically insulators, by replacement of several percent of oxygen atoms with nitrogen, hydrogen, or vacancies. We explored this approach for one of the best studied members of the large family of ABO3 perovskite ferroelectrics — strontium titanate (SrTiO3). The atomic and electronic structure of defects were theoretically investigated using the large-scale first-principles calculations for both bulk crystal and thin films. The results of calculations were experimentally verified by studies of the optical properties at photon energies from 25 meV to 8.8 eV for in-situ prepared thin films. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2023 Electronic address https://hdl.handle.net/11104/0333780
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