English

Ab initio modeling and experimental investigation of Fe$_2$P by DFT and spin spectroscopies

Materials Science 2021-05-05 v1

Abstract

Fe2_2P alloys have been identified as promising candidates for magnetic refrigeration at room-temperature and for custom magnetostatic applications. The intent of this study is to accurately characterize the magnetic ground state of the parent compound, Fe2_2P, with two spectroscopic techniques, μ\muSR and NMR, in order to provide solid bases for further experimental analysis of Fe2_2P-type transition metal based alloys. We perform zero applied field measurements using both techniques below the ferromagnetic transition TC=220 KT_C=220~\mathrm K. The experimental results are reproduced and interpreted using first principles simulations validating this approach for quantitative estimates in alloys of interest for technological applications.

Keywords

Cite

@article{arxiv.2011.03758,
  title  = {Ab initio modeling and experimental investigation of Fe$_2$P by DFT and spin spectroscopies},
  author = {Pietro Bonfà and Muhammad Maikudi Isah and Benjamin A. Frandsen and Ethan J. Gibson and Ekkes Brück and Ifeanyi John Onuorah and Roberto De Renzi and Giuseppe Allodi},
  journal= {arXiv preprint arXiv:2011.03758},
  year   = {2021}
}

Comments

10 pages, 2 figures