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Repositorio de la Universidad de Oviedo. > Producción Bibliográfica de UniOvi: RECOPILA > Artículos >

Please use this identifier to cite or link to this item: http://hdl.handle.net/10651/51463

Title: Database of novel magnetic materials for high-performance permanent magnet development
Author(s): Nieves, P.
Arapan, S.
Maudes, J.
Echevarría Bonet, Cristina
Keywords: database
magnetic materials
permanent magnets
materials genome initiative
High-throughput
VASP
Computer simulation
Novamag
Issue date: Jun-2019
Publisher version: https://doi.org/10.1016/j.commatsci.2019.06.007
Citation: Computational Materials Science, 168, p. 188-202 (2019); doi:10.1016/j.commatsci.2019.06.007
Format extent: p. 168-202
Abstract: This paper describes the open Novamag database that has been developed for the design of novel Rare-Earth free/lean permanent magnets. Its main features as software technologies, friendly graphical user interface, advanced search mode, plotting tool 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.
URI: http://hdl.handle.net/10651/51463
Sponsored: This work was supported by the European Horizon 2020 Framework Programme for Research and Innovation (2014-2020) under Grant Agreement No. 686056, NOVAMAG.
Project id.: H2020/868056
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