SwePub
Sök i LIBRIS databas

  Extended search

onr:"swepub:oai:DiVA.org:uu-395710"
 

Search: onr:"swepub:oai:DiVA.org:uu-395710" > The CeFe11Ti perman...

  • 1 of 1
  • Previous record
  • Next record
  •    To hitlist
  • Martinez-Casado, R.Univ Complutense Madrid, Fac Phys Sci, Dept Mat Phys, E-28040 Madrid, Spain;Univ Torino, Dipartimento Chim, Via P Giuria 5, I-10125 Turin, Italy (author)

The CeFe11Ti permanent magnet : a closer look at the microstructure of the compound

  • Article/chapterEnglish2019

Publisher, publication year, extent ...

  • IOP PUBLISHING LTD,2019
  • printrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:uu-395710
  • https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-395710URI
  • https://doi.org/10.1088/1361-648X/ab4096DOI

Supplementary language notes

  • Language:English
  • Summary in:English

Part of subdatabase

Classification

  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • High-performance permanent magnets (PM) are compounds with outstanding intrinsic magnetic properties. Most PMs are obtained from a favorable combination of rare earth metals (RE = Nd, Pr, Ce) with transition metals (TM = Fe, Co). Amongst them, CeFe11Ti claims considerable attention due to its large Curie temperature, saturation magnetization, and significant magnetocrystalline anisotropic energy. CeFe11Ti has several potential applications, in particular, in the development of electric motors for future automatic electrification. In this work, we shed some light on the mictrostructure of this compound by performing periodic hybrid-exchange density functional theory (DFT) calculations. We use a combined approach of atom-centered local orbitals, plane waves and full-potential linear muffin-tin orbital (LMTO) for our computations. The electronic configuration of the atoms involved in different steps of formation of the crystal structure of CeFe11Ti gives an explanation on the effect of Ce and Ti on its magnetic properties. While Ti stabilizes the structure, atomic orbitals of Ce hybridizes with Fe atomic orbitals to a significant extent and alters the electronic bands. Our calculations confirm a valence of 3(+) for Ce, which has been deemed crucial to obtain a large magnetocrystalline anisotropy. In addition, we analyze several spin configurations, with the ferromagnetic configuration being most stable. We compare and contrast our data to those available and provide an insight for further development of optimized high-performance PMs. Moreover, we compute the Magnetocrystalline Anisotropy of this compound by means of two approaches: the Force Theorem and a full-potential LMTO method.

Subject headings and genre

Added entries (persons, corporate bodies, meetings, titles ...)

  • Dasmahapatra, A.Univ Torino, Dipartimento Chim, Via P Giuria 5, I-10125 Turin, Italy (author)
  • Sgroi, M. F.Ctr Ric FIAT, Str Torino 50, I-10043 Orbassano, TO, Italy (author)
  • Romero-Muniz, C.Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, E-28049 Madrid, Spain (author)
  • Herper, Heike C.Uppsala universitet,Materialteori(Swepub:uu)heihe597 (author)
  • Vekilova, Olga Yu.Uppsala universitet,Materialteori(Swepub:uu)olgve867 (author)
  • Ferrari, A. M.Univ Torino, Dipartimento Chim, Via P Giuria 5, I-10125 Turin, Italy;Univ Turin, Ctr Excellence, NIS, Turin, Italy (author)
  • Pullini, D.Ctr Ric FIAT, Str Torino 50, I-10043 Orbassano, TO, Italy (author)
  • Desmarais, J.Univ Torino, Dipartimento Chim, Via P Giuria 5, I-10125 Turin, Italy (author)
  • Maschio, L.Univ Torino, Dipartimento Chim, Via P Giuria 5, I-10125 Turin, Italy;Univ Turin, Ctr Excellence, NIS, Turin, Italy (author)
  • Univ Complutense Madrid, Fac Phys Sci, Dept Mat Phys, E-28040 Madrid, Spain;Univ Torino, Dipartimento Chim, Via P Giuria 5, I-10125 Turin, ItalyUniv Torino, Dipartimento Chim, Via P Giuria 5, I-10125 Turin, Italy (creator_code:org_t)

Related titles

  • In:Journal of Physics: IOP PUBLISHING LTD31:500953-89841361-648X

Internet link

Find in a library

To the university's database

  • 1 of 1
  • Previous record
  • Next record
  •    To hitlist

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Close

Copy and save the link in order to return to this view