Ab initio modeling and experimental investigation of Fe2P by DFT and spin spectroscopies
Abstract
Fe2P 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, Fe2P , with two spectroscopic techniques, μ SR and NMR, in order to provide solid bases for further experimental analysis of Fe2P -type transition metal based alloys. We perform zero applied field measurements using both techniques below the ferromagnetic transition TC=220 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.
- Publication:
-
Physical Review Materials
- Pub Date:
- April 2021
- DOI:
- 10.1103/PhysRevMaterials.5.044411
- arXiv:
- arXiv:2011.03758
- Bibcode:
- 2021PhRvM...5d4411B
- Keywords:
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- Condensed Matter - Materials Science
- E-Print:
- 10 pages, 2 figures