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arXiv · 2011.03758

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

Pietro Bonfà·Muhammad Maikudi Isah·Benjamin A. Frandsen·Ethan J. Gibson·Ekkes Brück·Ifeanyi John Onuorah·Roberto De Renzi·Giuseppe Allodi
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Abstract

Fe$_2$P 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, Fe$_2$P, with two spectroscopic techniques, $\mu$SR and NMR, in order to provide solid bases for further experimental analysis of Fe$_2$P-type transition metal based alloys. We perform zero applied field measurements using both techniques below the ferromagnetic transition $T_C=220~\mathrm K$. The experimental results are reproduced and interpreted using first principles simulations validating this approach for quantitative estimates in alloys of interest for technological applications.

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Pietro Bonfà, Muhammad Maikudi Isah, Benjamin A. Frandsen, Ethan J. Gibson, Ekkes Brück, Ifeanyi John Onuorah, Roberto De Renzi, Giuseppe Allodi. 2020-11-07. Ab initio modeling and experimental investigation of Fe$_2$P by DFT and spin spectroscopies. https://doi.org/10.1103/physrevmaterials.5.044411

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