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Exceptionally high saturation magnetisation in Eu-doped magnetite stabilised by spin-orbit interaction
M Hussein N Assadi1, José Julio Gutiérrez Moreno2, Dorian A H Hanaor3
1School of Materials Science and Engineering, The University of New South Wales, NSW 2052, Australia. h.assadi.2008@ieee.org.
Physical Chemistry Chemical Physics : PCCP
|September 22, 2021
Summary
The spin-orbit interaction in Europium (Eu)-doped magnetite significantly enhances magnetic properties. This doping strategy, particularly at the tetrahedral site, boosts saturation magnetization, offering potential for advanced catalyst design.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Computational Chemistry
Background:
- Spin-orbit interaction is crucial in heavy elements like rare-earth Europium (Eu).
- Magnetite (Fe3O4) is a widely used material with significant magnetic properties.
- Understanding doping effects is key to tailoring material functionalities.
Purpose of the Study:
- To investigate the impact of spin-orbit interaction on the magnetic ground state of Eu-doped magnetite (Fe3O4:EuFe).
- To explore the influence of Eu doping site and spin alignment on magnetic properties.
- To assess the effect of further electron or hole doping on the enhanced magnetization.
Main Methods:
- Density functional calculations were employed to model the material.
- All possible spin alignments between Eu and Fe ions were systematically examined.
- The stability of Eu doping at different crystallographic sites was analyzed.
Main Results:
- Europium (Eu) is most stable at the tetrahedral site in magnetite.
- Eu adopts a spin orientation nearly opposite to the substituted Fe, minimizing spin cancellation.
- Eu-doped magnetite (Fe3O4:EuFe) exhibits a maximum saturation magnetization of 9.451 μB/f.u., substantially higher than undoped magnetite (3.929 μB/f.u.).
- Enhanced magnetization is maintained with additional electron doping but reduced by hole doping.
Conclusions:
- Spin-orbit interaction and strategic Eu doping significantly enhance magnetite's magnetic performance.
- The findings provide insights for designing materials with tailored magnetic properties.
- This research can guide the development of highly efficient magnetically recoverable catalysts utilizing Eu-doped magnetite.
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