Structural, electronic and magnetic properties of Sc doped CoCrO nanoparticles

The control over spin distribution to achieve magnetic properties in crystalline structures is crucial for materials design. A clear understanding of the relationship between structure and properties is essential for the development of magnetic materials. Herein, we investigate the effect of Sc-dopi...

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Bibliographic Details
Published in:New journal of chemistry 2020-09, Vol.44 (33), p.14246-14255
Main Authors: Manjunatha, K, Angadi, V. Jagadeesha, Ribeiro, R. A. P, Oliveira, M. C, de Lázaro, S. R, Bomio, M. R. D, Matteppanavar, S, Rayaprol, S, Babu, P. D, Pasha, U. Mahaboob
Format: Article
Language:English
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Summary:The control over spin distribution to achieve magnetic properties in crystalline structures is crucial for materials design. A clear understanding of the relationship between structure and properties is essential for the development of magnetic materials. Herein, we investigate the effect of Sc-doping on the structural, electronic, and magnetic properties of Co 1− x Sc x Cr 2 O 4 ( x = 0.0 and 0.05) nanoparticles synthesised by a solution combustion method and perform in-depth DFT calculations to clarify the spin distribution and magnetic states. The synthesized samples showed a single phase of the spinel cubic structure. Structural distortions associated with the creation of A-site vacancies originate from overall deformations of the tetrahedral [CoO 4 ] and octahedral [CrO 6 ] clusters. Aiming to understand the magnetic behavior of the sintered samples, temperature-dependent susceptibility and field-dependent magnetization studies were conducted, revealing two magnetic transitions defined as paramagnetic collinear ferrimagnetic (FIM) ( T C ) and non-collinear spiral FIM ( T S ) states. Further, upon Sc-doping of the [CoO 4 ] cluster, T C and T S decreased because of structural defects acting directly on the exchange coupling constants. The modification resulted in an enhancement of A-B and B-B antiferromagnetic (AFM) interactions, deeply clarified by DFT calculations. Hence, our experimental and theoretical approach uncovers a Sc-doping mechanism able to control the CoCr 2 O 4 magnetic properties of the matrix using structural distortions and long-range spin ordering. Experimental and theoretical analyses were combined to reveal the major properties of Co 1− x Sc x Cr 2 O 4 nanoparticles - a putative candidate for magnetic applications.
ISSN:1144-0546
1369-9261
DOI:10.1039/d0nj03062g