The electronic properties of SrTiO.sub.3-δ./sub. with oxygen vacancies or substitutions

0561024 - FZÚ 2023 RIV GB eng J - Článek v odborném periodiku
Rusevich, L.L. - Tyunina, Marina - Kotomin, E.A. - Nepomniashchaia, Natalia - Dejneka, Alexandr
The electronic properties of SrTiO_3-δ with oxygen vacancies or substitutions.
Scientific Reports. Roč. 11, č. 1 (2021), č. článku 23341. ISSN 2045-2322. E-ISSN 2045-2322
Grant CEP: GA ČR(CZ) GA19-09671S; GA MŠMT(CZ) EF16_019/0000760
Grant ostatní: OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institucionální podpora: RVO:68378271
Klíčová slova: electronic properties * including bandgap conductivity * multifunctional * perovskite oxide * ferroelectics
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 4.997, rok: 2021
Způsob publikování: Open access

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.
Trvalý link: https://hdl.handle.net/11104/0333780