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https://elar.usfeu.ru/handle/123456789/9023
Название: | Formation of Fe-Fe Antiferromagnetic Dimers in Doped TiO 2 :Fe Nanoparticles |
Авторы: | Yermakov, A. Y. Gubkin, A. F. Korolev, A. V. Molochnikov, L. S. Uimin, M. A. Rosenfeld, E. V. Kurkin, M. I. Minin, A. S. Volegov, A. S. Boukhvalov, D. W. Konev, S. F. |
Дата публикации: | 2019 |
Издатель: | American Chemical Society |
Библиографическое описание: | Yermakov, A. Y. Formation of Fe-Fe Antiferromagnetic Dimers in Doped TiO 2 :Fe Nanoparticles / A. Y. Yermakov, A. F. Gubkin, A. V. Korolev [et al.] // Journal of Physical Chemistry C. – 2019. – Vol. 123. – Iss. 2. – P. 1494-1505. |
Аннотация: | In this work, we report the results of comprehensive experimental and theoretical study of magnetic properties of TiO 2 nanoparticles (20 nm) doped with Fe at various concentrations ranging from 0.1 to 4.6 at. %. Our electron paramagnetic resonance and magnetic measurements data evidence the mixed magnetic state, where paramagnetic Fe 3+ ions coexist with short-range antiferromagnetic correlations caused by negative exchange interaction between neighboring Fe 3+ ions. A quantum mechanical model of the Fe-based magnetic cluster represented as a set of dimers with strong a(100-300) K and weak (a1 K) exchange interactions has been proposed. Our model was found to provide a good description of magnetic properties of TiO 2 :Fe nanopowders. Density-functional theory (DFT) calculations revealed Fe 3+ oxidation state of the iron center in the vicinity of an oxygen vacancy in the crystal structure of anatase. DFT calculations confirmed that two types of Fe 3+ spin-pairs with weak and strong exchange interactions can be formed in the vicinity of an oxygen vacancy. Accumulation of magnetic moment carriers and formation of magnetic clusters in TiO 2 nanoparticles with anatase structure were found to be a general tendency for all studied TiO 2 :Fe nanopowders. © Copyright 2018 American Chemical Society. |
Ключевые слова: | ANTIFERROMAGNETISM BINARY ALLOYS CRYSTAL STRUCTURE DENSITY FUNCTIONAL THEORY EXCHANGE INTERACTIONS MAGNETIC MOMENTS MAGNETIC PROPERTIES MAGNETIC RESONANCE MEASUREMENT NANOPARTICLES NANOSTRUCTURED MATERIALS OXYGEN OXYGEN VACANCIES PARAMAGNETIC RESONANCE PARAMAGNETISM TITANIUM DIOXIDE ANATASE STRUCTURES ANTIFERROMAGNETIC CORRELATIONS ANTIFERROMAGNETICS MAGNETIC CLUSTER MIXED MAGNETIC STATE QUANTUM MECHANICAL MODEL THEORETICAL STUDY TIO2 NANO-PARTICLES NANOMAGNETICS |
URI: | https://elar.usfeu.ru/handle/123456789/9023 |
DOI: | 10.1021/acs.jpcc.8b10553 |
SCOPUS: | 2-s2.0-85059816024 |
WoS: | WOS:000456350600054 |
РИНЦ: | 38655690 |
Располагается в коллекциях: | Научные публикации, проиндексированные в SCOPUS и WoS CC |
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Файл | Описание | Размер | Формат | |
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2-s2.0-85059816024.pdf | 2,97 MB | Adobe PDF | Просмотреть/Открыть Request a copy |
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