Transition metal-doped SrTiO<sub>3</sub>: when does a tiny chemical impact have such a great structural response?

Talanov, M.V.; Stash, A.I.; Ivanov, S.A.; Zhukova, E.S.; Gorshunov, B.P.; Nekrasov, B.M.; Melentev, A.V.; Kozlov, V.I.; Cherepanov, V.M.; Gavrilkin, S.Y.; Tsvetkov, A.Y.; Zavidovskiy, I.A.; Tatmyshevskiy, M.K.; Savinov, M.; Talanov, V.M.; Bush, A.A.

Авторы: Talanov Mikhail V., Stash Adam I., Ivanov Sergey A., Zhukova Elena S., Gorshunov Boris P., Nekrasov Boris M., Melentev Alexander V., Kozlov Vladislav I., Cherepanov Valery M., Gavrilkin Sergey Yu, Tsvetkov Aleksey Yu, Zavidovskiy Ilya A., Tatmyshevskiy Mikhail K., Savinov Maxim, Talanov Valeriy M., Bush Alexander A.
Журнал: Journal of Materials Chemistry С
Том: 12
Номер: 22
Год издания: 2024
Издательство: Royal Society of Chemistry
Местоположение издательства: United Kingdom
Первая страница: 8105
Последняя страница: 8118
DOI: 10.1039/d4tc00180j
Аннотация: The effect of doping on the chemical and physical properties of semiconductors, alloys, ferroelectrics, glasses, and other substances has been a classic topic in materials science for centuries. Strontium titanate, SrTiO3, is an archetypal perovskite of interest for both fundamental science as quantum paraelectric and numerous outstanding physical properties and applications, including dielectrics, tunable microwave and photovoltaic devices, superconductors, thermoelectrics, potential multiferroics. Its chemical doping with transition metals leads to new functionalities, but intrinsic mechanisms of structural responses, activated by impurities, have not been systematically investigated. Herein, we present the results of a comparative study of the crystal structure, vibrational spectra, and dielectric properties of SrTiO3:M (M = Mn, Ni, and Fe, 2 at%) single crystals. It is shown that impurities constitute a different tendency to off-centering and the formation of dipoles: Mn and Fe atoms are shifted from the center of the oxygen octahedron, while Ni atoms remain on-centered. As a result, small chemical doping has a dramatic effect on the dielectric response through various structural mechanisms, including the pseudo Jahn–Teller effect, the first-order Jahn–Teller effect, and defect-induced distortion. These findings open up fundamentally new possibilities for the practical solution of a difficult problem: controlling the dielectric responses of quantum paraelectrics by choosing the type of chemical additive.
Добавил в систему: Сташ Адам Игаркович

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Transition metal-doped SrTiO<sub>3</sub>: when does a tiny chemical impact have such a great structural response?статья

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