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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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