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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/42623

    Título
    Tuning the Magnetic Moment of Small Late 3d-Transition-Metal Oxide Clusters by Selectively Mixing the Transition-Metal Constituents
    Autor
    Aguilera del Toro, Rodrigo HumbertoAutoridad UVA
    Torres, María
    Aguilera Granja, Juan Faustino
    Vega Hierro, AndrésAutoridad UVA Orcid
    Año del Documento
    2020
    Editorial
    MDPI
    Descripción
    Producción Científica
    Documento Fuente
    Nanomaterials 2020, 10(9), 1814
    Resumen
    Transition-metal oxide nanoparticles are relevant for many applications in different areas where their superparamagnetic behavior and low blocking temperature are required. However, they have low magnetic moments, which does not favor their being turned into active actuators. Here, we report a systematical study, within the framework of the density functional theory, of the possibility of promoting a high-spin state in small late-transition-metal oxide nanoparticles through alloying. We investigated all possible nanoalloys An−xBxOm (A, B = Fe, Co, Ni; n = 2, 3, 4; 0≤x≤n) with different oxidation rates, m, up to saturation. We found that the higher the concentration of Fe, the higher the absolute stability of the oxidized nanoalloy, while the higher the Ni content, the less prone to oxidation. We demonstrate that combining the stronger tendency of Co and Ni toward parallel couplings with the larger spin polarization of Fe is particularly beneficial for certain nanoalloys in order to achieve a high total magnetic moment, and its robustness against oxidation. In particular, at high oxidation rates we found that certain FeCo oxidized nanoalloys outperform both their pure counterparts, and that alloying even promotes the reentrance of magnetism in certain cases at a critical oxygen rate, close to saturation, at which the pure oxidized counterparts exhibit quenched magnetic moments
    Materias Unesco
    22 Física
    Palabras Clave
    Magnetism
    Revisión por pares
    SI
    DOI
    10.3390/nano10091814
    Patrocinador
    Junta de Castilla y León (Ref. project VA124G18)
    Ministerio de Economía, Industria y Competitividad (Project PGC2018-093745-B-I00) and FEDER
    Version del Editor
    https://www.mdpi.com/2079-4991/10/9/1814
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/42623
    Tipo de versión
    info:eu-repo/semantics/publishedVersion
    Derechos
    openAccess
    Aparece en las colecciones
    • PNM - Artículos de revistas [30]
    • DEP33 - Artículos de revista [197]
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    Nombre:
    Tuning-Magnetic.pdf
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    Attribution-NonCommercial-NoDerivatives 4.0 InternacionalLa licencia del ítem se describe como Attribution-NonCommercial-NoDerivatives 4.0 Internacional

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