Unraveling Dynamic Jahn-Teller Effect and Magnetism in FeTiF6×6H2O Single Crystal Научная публикация
| Журнал |
Journal of Alloys and Compounds
ISSN: 0925-8388 , E-ISSN: 1873-4669 |
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| Вых. Данные | Год: 2024, Том: 999, Номер статьи : 175104, Страниц : 9 DOI: 10.1016/j.jallcom.2024.175104 | ||||||
| Ключевые слова | Dynamic Jahn-Teller effect; Density functional theory; B3LYP; Magnetic and electronic properties; Mössbauer spectroscopy; XMCD; XANES | ||||||
| Авторы |
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| Организации |
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Информация о финансировании (2)
| 1 | Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) | FWUR-2024-0040 |
| 2 | Российский научный фонд | 23-22-10037 (123051900030-8) |
Реферат:
Hydrated iron fluoridotitanate (FeTiF6 × 6 H2O) single crystals are fascinating magnetic materials with unique properties. To understand the underlying mechanisms, this study combines X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) techniques, complemented by density functional theory (DFT) calculations. Polarization-dependent X-ray absorption spectroscopy, encompassing XANES and XMCD, is a powerful technique for probing the local structures and magnetic properties of materials. It is element-selective, bulk-sensitive, and compatible with a wide range of experimental conditions. In this study, we used XANES and XMCD spectroscopies to investigate the local structures and magnetic properties of Fe and Ti in FeTiF6 × 6 H2O single crystals. XANES analysis revealed distinct local environments around Fe and Ti, providing insights into their coordination environments. Element-selective magnetization measurement at the Fe K-edge demonstrated that iron sites in the oxidation state Fe2+ have an unambiguous paramagnetic contribution to the magnetization along the b-axis. Notably, the absence of an XMCD signal at the Ti K-edge confirmed the absence of a magnetic moment in Ti atoms within the crystal. DFT calculations corroborate the experimental findings and provide insights into the electronic structure and magnetic interactions. The combined results provide a comprehensive understanding of the dynamic Jahn-Teller effect in FeTiF6 × 6 H2O single crystals, highlighting the significance of polarization-dependent X-ray absorption spectroscopy in unraveling the intricate magnetic behavior of such materials. This study contributes to the fundamental understanding of magnetism in these materials and paves the way for the development of novel magnetic materials with tailored properties.
Библиографическая ссылка:
Platunov M.S.
, Fedorova N.A.
, Pyastolova Y.V.
, Laptash N.M.
, Knyazev Y.V.
, Tomilin F.N.
, Dubrovskiy A.A.
Unraveling Dynamic Jahn-Teller Effect and Magnetism in FeTiF6×6H2O Single Crystal
Journal of Alloys and Compounds. 2024. V.999. 175104 :1-9. DOI: 10.1016/j.jallcom.2024.175104 WOS Scopus РИНЦ CAPlus OpenAlex СКИФ ID
Unraveling Dynamic Jahn-Teller Effect and Magnetism in FeTiF6×6H2O Single Crystal
Journal of Alloys and Compounds. 2024. V.999. 175104 :1-9. DOI: 10.1016/j.jallcom.2024.175104 WOS Scopus РИНЦ CAPlus OpenAlex СКИФ ID
Даты:
| Поступила в редакцию: | 27 мар. 2024 г. |
| Принята к публикации: | 5 июн. 2024 г. |
| Опубликована online: | 6 июн. 2024 г. |
| Опубликована в печати: | 15 сент. 2024 г. |
Идентификаторы БД:
| Web of science: | WOS:001251991300001 |
| Scopus: | 2-s2.0-85195322647 |
| РИНЦ: | 68167465 |
| Chemical Abstracts: | 2024:1278175 |
| OpenAlex: | W4399382476 |
| СКИФ ID: | 3419 |
Цитирование в БД:
Пока нет цитирований