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    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/5783

    Título
    Database of novel magnetic materials for high-performance permanent magnet development
    Autor
    Nieves Cordones, PabloUBU authority Orcid
    Arapan, SergiuUBU authority
    Maudes Raedo, Jesús M.UBU authority Orcid
    Marticorena Sánchez, RaúlUBU authority Orcid
    Brío, N.L. del
    Kovacs, A.
    Echevarria Bonet, C.
    Salazar, D.
    Weischenberg, J.
    Zhang, H.
    Vekilova, O.Yu.
    Serrano López, RobertoUBU authority Orcid
    Barandiaran, J.M.
    Skokov, Konstantin
    Gutfleisch, O.
    Eriksson, O.
    Herper, H.C.
    Schrefl, T.
    Cuesta López, SantiagoUBU authority Orcid
    Publicado en
    Computational Materials Science. 2019, V. 168, p. 188-202
    Editorial
    Elsevier
    Fecha de publicación
    2019-10
    ISSN
    0927-0256
    DOI
    10.1016/j.commatsci.2019.06.007
    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.
    Palabras clave
    Database
    Magnetic materials
    Permanent magnets
    Materials Genome Initiative
    High-throughput
    VASP
    Computer simulation
    Novamag
    Materia
    Materiales
    Materials
    Informática
    Computer science
    URI
    http://hdl.handle.net/10259/5783
    Versión del editor
    https://doi.org/10.1016/j.commatsci.2019.06.007
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