Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Computational Optimization of MnBi to Enhance Energy Product   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 magnet necessities development of
high-flux magnets containing low cost, earth-abundant materials. Here, 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 the density functional theory in the high-throughput
fashion, we consider the possibility of alloying MnBi with all possible metal
and non-metal elements in the periodic table and found that MnBi-based alloys
with Pd, Pt, Rh, Li, and O are stable against decomposition to constituent
elements and have larger magnetization, energy product compared and magnetic
anisotropy compared to MnBi We consider the possibility of these elements
occupying half and all of the available empty sites. Combined with other
favorable properties of MnBi, such as high Curie temperature and earth
abundancy of constituents elements, we envision the possibility of MnBi-based
high-energy-density magnets.

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The categories of this paper are: adap-org
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The categories of this paper are: alg-geom
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The categories of this paper are: comp-gas
3
The categories of this paper are: physics
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The categories of this paper are: nucl-th
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The categories of this paper are: bayes-an
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The categories of this paper are: eess
2
The categories of this paper are: math
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The categories of this paper are: solv-int
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The categories of this paper are: hep-th
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The categories of this paper are: econ
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The categories of this paper are: atom-ph
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The categories of this paper are: quant-ph
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The categories of this paper are: stat
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The categories of this paper are: dg-ga
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The categories of this paper are: patt-sol