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Database of novel magnetic materials for high-performance permanent magnet development

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arxiv 1902.05241 v1 pith:LPXBSQRO submitted 2019-02-14 cond-mat.mtrl-sci

Database of novel magnetic materials for high-performance permanent magnet development

classification cond-mat.mtrl-sci
keywords databasemagneticnoveldesignmagnetsmaterialspermanentphases
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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This paper describes the open Novamag database that has been developed for the design of novel Rare-Earth free/lean permanent magnets. The database software technologies, its friendly graphical user interface, advanced search tools and available data are explained in detail. Following the philosophy and standards of Materials Genome Initiative, it contains significant results of novel magnetic phases with high magnetocrystalline anisotropy obtained by three computational high-throughput screening approaches based on a crystal structure prediction method using an Adaptive Genetic Algorithm, tetragonally distortion of cubic phases and tuning known phases by doping. Additionally, it also includes theoretical and experimental data about fundamental magnetic material properties such as magnetic moments, magnetocrystalline anisotropy energy, exchange parameters, Curie temperature, domain wall width, exchange stiffness, coercivity and maximum energy product, that can be used in the study and design of new promising high-performance Rare-Earth free/lean permanent magnets. The results therein contained might provide some insights into the ongoing debate about the theoretical performance limits beyond Rare-Earth based magnets. Finally, some general strategies are discussed to design possible experimental routes for exploring most promising theoretical novel materials found in the database.

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