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    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/7603

    Título
    Quantum Revivals in Curved Graphene Nanoflakes
    Autor
    Huerta Sainz, Sergio de laUBU authority Orcid
    Ballesteros Castañeda, ÁngelUBU authority Orcid
    Cordero Tejedor, Nicolás A.UBU authority Orcid
    Publicado en
    Nanomaterials. 2022, V. 12, n. 12, 1953
    Editorial
    MDPI
    Fecha de publicación
    2022-06
    DOI
    10.3390/nano12121953
    Abstract
    Graphene nanostructures have attracted a lot of attention in recent years due to their unconventional properties. We have employed Density Functional Theory to study the mechanical and electronic properties of curved graphene nanoflakes. We explore hexagonal flakes relaxed with different boundary conditions: (i) all atoms on a perfect spherical sector, (ii) only border atoms forced to be on the spherical sector, and (iii) only vertex atoms forced to be on the spherical sector. For each case, we have analysed the behaviour of curvature energy and of quantum regeneration times (classical and revival) as the spherical sector radius changes. Revival time presents in one case a divergence usually associated with a phase transition, probably caused by the pseudomagnetic field created by the curvature. This could be the first case of a phase transition in graphene nanostructures without the presence of external electric or magnetic fields.
    Palabras clave
    Graphene
    Curvature
    Quantum revivals
    DFT
    Phase transition
    Materia
    Física
    Physics
    URI
    http://hdl.handle.net/10259/7603
    Versión del editor
    https://doi.org/10.3390/nano12121953
    Collections
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    Atribución 4.0 Internacional
    Documento(s) sujeto(s) a una licencia Creative Commons Atribución 4.0 Internacional
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