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Toward Rare-Earth-Free Permanent Magnets: A Combinatorial Approach Exploiting the Possibilities of Modeling, Shape Anisotropy in Elongated Nanoparticles, and Combinatorial Thin-Film Approach
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2015 (English)In: JOM: The Member Journal of TMS, ISSN 1047-4838, E-ISSN 1543-1851, Vol. 67, no 6, 1318-1328 p.Article in journal (Refereed) Published
Abstract [en]

The objective of the rare-earth free permanent magnets (REFREEPM) project is to develop a new generation of high-performance permanent magnets (PMs) without rare earths. Our approach is based on modeling using a combinatorial approach together with micromagnetic modeling and the realization of the modeled systems (I) by using a novel production of high-aspect-ratio (> 5) nanostructrures (nanowires, nanorods, and nanoflakes) by exploiting the magnetic shape anisotropy of the constituents that can be produced via chemical nanosynthesis polyol process or electrodeposition, which can be consolidated with novel processes for a new generation of rare-earth free PMs with energy product in the range of 60 kJ/m(3) < (BH)max < 160 kJ/m(3) at room temperature, and (II) by using a high-throughput thin-film synthesis and high-throughput characterization approach to identify promising candidate materials that can be stabilized in a tetragonal or hexagonal structure by epitaxial growth on selected substrates, under various conditions of pressure, stoichiometry, and temperature. In this article, we report the progress so far in selected phases.

Place, publisher, year, edition, pages
2015. Vol. 67, no 6, 1318-1328 p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-258032DOI: 10.1007/s11837-015-1431-7ISI: 000355947400007OAI: oai:DiVA.org:uu-258032DiVA: diva2:841318
Available from: 2015-07-13 Created: 2015-07-10 Last updated: 2017-12-04Bibliographically approved
In thesis
1. Theoretical and Computational Studies on the Physics of Applied Magnetism: Magnetocrystalline Anisotropy of Transition Metal Magnets and Magnetic Effects in Elastic Electron Scattering
Open this publication in new window or tab >>Theoretical and Computational Studies on the Physics of Applied Magnetism: Magnetocrystalline Anisotropy of Transition Metal Magnets and Magnetic Effects in Elastic Electron Scattering
2016 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

In this thesis, two selected topics in magnetism are studied using theoretical modelling and computational methods. The first of these is the magnetocrystalline anisotropy energy (MAE) of transition metal based magnets. In particular, ways of finding 3d transition metal based materials with large MAE are considered. This is motivated by the need for new permanent magnet materials, not containing rare-earth elements, but is also of interest for other technological applications, where the MAE is a key quantity. The mechanisms of the MAE in the relevant materials are reviewed and approaches to increasing this quantity are discussed. Computational methods, largely based on density functional theory (DFT), are applied to guide the search for relevant materials. The computational work suggests that the MAE of Fe1-xCox alloys can be significantly enhanced by introducing a tetragonality with interstitial B or C impurities. This is also experimentally corroborated. Alloying is considered as a method of tuning the electronic structure around the Fermi energy and thus also the MAE, for example in the tetragonal compound (Fe1-xCox)2B. Additionally, it is shown that small amounts (2.5-5 at.%) of various 5d dopants on the Fe/Co-site can enhance the MAE of this material with as much as 70%. The magnetic properties of several technologically interesting, chemically ordered, L10 structured binary compounds, tetragonal Fe5Si1-xPxB2 and Hexagonal Laves phase Fe2Ta1-xWx are also investigated. The second topic studied is that of magnetic effects on the elastic scattering of fast electrons, in the context of transmission electron microscopy (TEM). A multislice solution is implemented for a paraxial version of the Pauli equation. Simulations require the magnetic fields in the sample as input. A realistic description of magnetism in a solid, for this purpose, is derived in a scheme starting from a DFT calculation of the spin density or density matrix. Calculations are performed for electron vortex beams passing through magnetic solids and a magnetic signal, defined as a difference in intensity for opposite orbital angular momentum beams, integrated over a disk in the diffraction plane, is observed. For nanometer sized electron vortex beams carrying orbital angular momentum of a few tens of ħ, a relative magnetic signal of order 10-3 is found. This is considered realistic to be observed in experiments. In addition to electron vortex beams, spin polarised and phase aberrated electron beams are considered and also for these a magnetic signal, albeit weaker than that of the vortex beams, can be obtained.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2016. 109 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1440
Keyword
Magnetism, Magnetic anisotropy, DFT, Permanent magnets, Electron vortex beams, Electron microscopy, Electron scattering, Multislice methods, Magnetism, magnetisk anisotropi, permanentmagneter, täthetsfunktionalteori, elektronmikroskopi, elektronvirvelstrålar, elektronspridningsteori
National Category
Condensed Matter Physics
Research subject
Physics with spec. in Atomic, Molecular and Condensed Matter Physics
Identifiers
urn:nbn:se:uu:diva-304666 (URN)978-91-554-9753-8 (ISBN)
Public defence
2016-11-25, Häggsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 13:15 (English)
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Note

Felaktigt ISBN i den tryckta versionen: 9789155497149

Available from: 2016-11-02 Created: 2016-10-07 Last updated: 2016-12-19Bibliographically approved

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Rusz, JanEdström, AalexanderEriksson, Olle

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