Issue 49, 2021

Ab initio study of alloying of MnBi to enhance the energy product

Abstract

High energy density magnets are preferred over induction magnets for many applications, including electric motors used in flying rovers, electric vehicles, and wind turbines. However, several issues related to cost and supply with state-of-the-art rare-earth-based magnets necessitate development of high-flux magnets containing low-cost earth-abundant materials. Here, by using first-principles density functional theory, we demonstrate the possibility of tuning magnetization and magnetocrystalline anisotropy of one of the candidate materials, MnBi, by alloying it with foreign elements. By using density functional theory in the high-throughput fashion, we consider the possibility of various metal and non-metal elements in the periodic table occupying empty sites of MnBi and found that MnBi-based alloys with Rh, Pd, Li, and O are stable against decomposition to constituent elements and have larger magnetization energy product compared to MnBi. Combined with other favorable properties of MnBi, such as high Curie temperature and earth abundancy of constituent elements, we envision the possibility of MnBi-based high-energy-density magnets.

Graphical abstract: Ab initio study of alloying of MnBi to enhance the energy product

Article information

Article type
Paper
Submitted
29 Jun 2021
Accepted
07 Sep 2021
First published
17 Sep 2021
This article is Open Access
Creative Commons BY license

RSC Adv., 2021,11, 30955-30960

Ab initio study of alloying of MnBi to enhance the energy product

T. R. Paudel, B. Lama and P. Kharel, RSC Adv., 2021, 11, 30955 DOI: 10.1039/D1RA05007A

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