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

Phys. Rev. Materials 5, 044411 (2021) 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...

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Hauptverfasser: Bonfà, Pietro, Isah, Muhammad Maikudi, Frandsen, Benjamin A, Gibson, Ethan J, Brück, Ekkes, Onuorah, Ifeanyi John, De Renzi, Roberto, Allodi, Giuseppe
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creator Bonfà, Pietro
Isah, Muhammad Maikudi
Frandsen, Benjamin A
Gibson, Ethan J
Brück, Ekkes
Onuorah, Ifeanyi John
De Renzi, Roberto
Allodi, Giuseppe
description Phys. Rev. Materials 5, 044411 (2021) 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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title Ab initio modeling and experimental investigation of Fe$_2$P by DFT and spin spectroscopies
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