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Title: Unconventional magnetism of non-uniform distribution of Co in TiO2 nanoparticles
Authors: Yermakov, A. Y.
Boukhvalov, D. W.
Volegov, A. S.
Uimin, M. A.
Zakharova, G. S.
Korolev, A. V.
Rosenfeld, E. V.
Mesilov, V. V.
Minin, A. S.
Galakhov, V. R.
Molochnikov, L. S.
Gubkin, A. F.
Murzakaev, A. M.
Konev, S. F.
Issue Date: 2020
Publisher: Elsevier Ltd
Citation: Unconventional magnetism of non-uniform distribution of Co in TiO2 nanoparticles / A.Y. Yermakov, D.W. Boukhvalov, A.S. Volegov [et al.] // Journal of Alloys and Compounds. – 2020. – Vol. 826. – № 154194.
Abstract: High-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD) analysis, electron paramagnetic resonance (EPR), X-ray absorption spectroscopy (XAS), magnetic methods, and density-functional theory (DFT) calculations were applied for the investigations of Co-doped anatase TiO2 nanoparticles (∼20 nm). It was found that high-spin Co2+ ions prefer to occupy the interstitial positions in the TiO2 lattice which are the most energetically favourable in compare to the substitutional those. A quantum mechanical model which operates mainly on two types of Co2+ – Co2+ dimers with different negative exchange interactions and the non-interacting paramagnetic Co2+ ions provides a satisfactorily description of magnetic properties for the TiO2:Co system. © 2020 Elsevier B.V.
DOI: 10.1016/j.jallcom.2020.154194
SCOPUS: 2-s2.0-85079382495
WoS: WOS:000519269300121
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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