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Off-centering of the Fe atom at the A site in SrTiO3: calculations and experimentстатья
- Авторы: Lebedev A.I., Sluchinskaya I.A.
- Журнал: Ferroelectrics
- Том: 604
- Номер: 1
- Год издания: 2023
- Издательство: Taylor and Francis
- Местоположение издательства: United States
- Первая страница: 116
- Последняя страница: 127
- DOI: 10.1080/00150193.2023.2168987
- Аннотация: The influence of annealing temperature and deviation from stoichiometry on the incorporation of the Fe impurity into the A and B sites of the perovskite structure is studied using XAFS spectroscopy and X-ray diffraction. It is shown that at high annealing temperature about 30% of the iron atoms enter the A sites in SrTiO3. The obtained results agree with the results of first-principles calculations, according to which the Fe2+ ion at the A site exhibits strong off-centering (the displacement of ∼1 Å). The mechanism of magnetoelectric interaction for magnetic off-center ions is discussed.
- Добавил в систему: Лебедев Александр Иванович