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Physica B Condensed Matter
Article . 2021 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
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Doping the permanent magnet CeFe11Ti with Co and Ni using ab-initio density functional methods

Authors: Dasmahapatra A.; Martinez-Casado R.; Romero-Muniz C.; Sgroi M. F.; Ferrari A. M.; Maschio L.;

Doping the permanent magnet CeFe11Ti with Co and Ni using ab-initio density functional methods

Abstract

Abstract High performance magnets are valuable in the light of the modern energy crunch in the world primarily because of their applicability in electric motor vehicles. We study two compounds: CeCoFe10Ti and CeNiFe10Ti using hybrid density functional computations. Our aim is to observe effects of adding Co and Ni to the parent compound CeFe11Ti, which is a well-known permanent magnet. Using a solid solution algorithm in the ab-initio CRYSTAL code, we determine 16 symmetrically distinct ways in which Ni or Co can be added. These 32 configurations (16 for each Co and Ni) are then further analyzed for their total energies, spin configurations, partial density of states (PDOS) and magnetic anisotropic energies (MAE). Our work shows that addition of Co slightly enhances magnetic properties. The addition of Ni weakens the hybridization between Ce-f and Fe-d orbitals and leads to a decrease in saturation magnetic values and MAE.

Country
Italy
Keywords

Ab-initio calculations; Magnetic properties; Permanent magnets; Rare-earth elements

  • BIP!
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    citations
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    4
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
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    Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
4
Top 10%
Average
Average
Green
Related to Research communities
Energy Research