Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd

Abstract Decoration with Pd clusters increases the magnetic heating ability of cobalt ferrite (CFO) nanoparticles by a factor of two. The origin of this previous finding is unraveled by element-specific X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) combined with atomic m...

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Autores principales:	S. Fatemeh Shams, Detlef Schmitz, Alevtina Smekhova, Mohammad Reza Ghazanfari, Margret Giesen, Eugen Weschke, Kai Chen, Chen Luo, Florin Radu, Carolin Schmitz-Antoniak
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/4d358f220423415486e21557148e61ab
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spelling	oai:doaj.org-article:4d358f220423415486e21557148e61ab2021-12-02T17:06:32ZElement-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd10.1038/s41598-021-95189-y2045-2322https://doaj.org/article/4d358f220423415486e21557148e61ab2021-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-95189-yhttps://doaj.org/toc/2045-2322Abstract Decoration with Pd clusters increases the magnetic heating ability of cobalt ferrite (CFO) nanoparticles by a factor of two. The origin of this previous finding is unraveled by element-specific X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) combined with atomic multiplet simulations and density functional theory (DFT) calculations. While the comparison of XAS spectra with atomic multiplet simulations show that the inversion degree is not affected by Pd decoration and, thus, can be excluded as a reason for the improved heating performance, XMCD reveals two interrelated responsible sources: significantly larger Fe and Co magnetic moments verify an increased total magnetization which enhances the magnetic heating ability. This is accompanied by a remarkable change in the field-dependent magnetization particularly for Co ions which exhibit an increased low-field susceptibility and a reduced spin canting behavior in higher magnetic fields. Using DFT calculations, these findings are explained by reduced superexchange between ions on octahedral lattice sites via oxygen in close vicinity of Pd, which reinforces the dominating antiparallel superexchange interaction between ions on octahedral and tetrahedral lattice sites and thus reduces spin canting. The influence of the delocalized nature of Pd 4d electrons on the neighboring ions is discussed and the conclusions are illustrated with spin density isosurfaces of the involved ions. The presented results pave the way to design nanohybrids with tailored electronic structure and magnetic properties.S. Fatemeh ShamsDetlef SchmitzAlevtina SmekhovaMohammad Reza GhazanfariMargret GiesenEugen WeschkeKai ChenChen LuoFlorin RaduCarolin Schmitz-AntoniakNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q S. Fatemeh Shams Detlef Schmitz Alevtina Smekhova Mohammad Reza Ghazanfari Margret Giesen Eugen Weschke Kai Chen Chen Luo Florin Radu Carolin Schmitz-Antoniak Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd
description	Abstract Decoration with Pd clusters increases the magnetic heating ability of cobalt ferrite (CFO) nanoparticles by a factor of two. The origin of this previous finding is unraveled by element-specific X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) combined with atomic multiplet simulations and density functional theory (DFT) calculations. While the comparison of XAS spectra with atomic multiplet simulations show that the inversion degree is not affected by Pd decoration and, thus, can be excluded as a reason for the improved heating performance, XMCD reveals two interrelated responsible sources: significantly larger Fe and Co magnetic moments verify an increased total magnetization which enhances the magnetic heating ability. This is accompanied by a remarkable change in the field-dependent magnetization particularly for Co ions which exhibit an increased low-field susceptibility and a reduced spin canting behavior in higher magnetic fields. Using DFT calculations, these findings are explained by reduced superexchange between ions on octahedral lattice sites via oxygen in close vicinity of Pd, which reinforces the dominating antiparallel superexchange interaction between ions on octahedral and tetrahedral lattice sites and thus reduces spin canting. The influence of the delocalized nature of Pd 4d electrons on the neighboring ions is discussed and the conclusions are illustrated with spin density isosurfaces of the involved ions. The presented results pave the way to design nanohybrids with tailored electronic structure and magnetic properties.
format	article
author	S. Fatemeh Shams Detlef Schmitz Alevtina Smekhova Mohammad Reza Ghazanfari Margret Giesen Eugen Weschke Kai Chen Chen Luo Florin Radu Carolin Schmitz-Antoniak
author_facet	S. Fatemeh Shams Detlef Schmitz Alevtina Smekhova Mohammad Reza Ghazanfari Margret Giesen Eugen Weschke Kai Chen Chen Luo Florin Radu Carolin Schmitz-Antoniak
author_sort	S. Fatemeh Shams
title	Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd
title_short	Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd
title_full	Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd
title_fullStr	Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd
title_full_unstemmed	Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd
title_sort	element-specific contributions to improved magnetic heating of theranostic cofe2o4 nanoparticles decorated with pd
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/4d358f220423415486e21557148e61ab
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Element-specific contributions to improved magnetic heating of theranostic CoFe2O4 nanoparticles decorated with Pd

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