Fe2C- and Mn2(W/Mo)B4-based rare-earth-free permanent magnets as a result of the high-throughput and data-mining search

Fe2C- and Mn2(W/Mo)B4-based rare-earth-free permanent magnets as a result of the high-throughput and data-mining search

A high-throughput and data-mining search for rare-earth-free permanent magnets is reported for materials containing a 3d and p-element of the Periodic Table. Three of the most promising compounds, Fe[Formula: see text]C, Mn[Formula: see text]MoB[Formula: see text], and Mn[Formula: see text]WB[Formul...

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Bibliographic Details
Main Authors: Alena Vishina, O. Eriksson, H. C. Herper
Format: Article
Language:English
Published: Taylor & Francis Group 2023-01-01
Series:Materials Research Letters
Subjects:
Permanent magnet
rare-earth-free
high-throughput
data-mining
DFT
Online Access:https://www.tandfonline.com/doi/10.1080/21663831.2022.2117576
Description
Summary:A high-throughput and data-mining search for rare-earth-free permanent magnets is reported for materials containing a 3d and p-element of the Periodic Table. Three of the most promising compounds, Fe[Formula: see text]C, Mn[Formula: see text]MoB[Formula: see text], and Mn[Formula: see text]WB[Formula: see text], were investigated in detail by ab initio electronic structure theory coupled to atomistic spin-dynamics. For these systems doping protocols were also investigated and, in particular, (Fe[Formula: see text]X[Formula: see text])[Formula: see text]C (X = Mn, Cr, V, and Ti), Mn[Formula: see text]XB[Formula: see text] (X = Mo and W) along with Mn[Formula: see text](X[Formula: see text]Y[Formula: see text])B[Formula: see text] (X,Y = Mo, W, Ta, Cr) are suggested here as promising candidates for applications as permanent magnets.
ISSN:2166-3831

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